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Showing NP-Card for Nitrous oxide (NP0334619)

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Record Information
Version2.0
Created at2024-09-10 19:10:12 UTC
Updated at2024-09-10 19:10:12 UTC
NP-MRD IDNP0334619
Secondary Accession NumbersNone
Natural Product Identification
Common NameNitrous oxide
DescriptionNitrous oxide, also known as N2O or diazyne 1-oxide, belongs to the class of inorganic compounds known as other non-metal nitrides. These are inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'. Nitrous oxide is an extremely weak basic (essentially neutral) compound (based on its pKa). Nitrous oxide exists in all living organisms, ranging from bacteria to humans. Nitrous oxide is an odorless tasting compound. Outside of the human body,. Nitrous oxide is a potentially toxic compound. Nitrous oxide was first documented in 1994 (PMID: 7880215). A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O (PMID: 11159233) (PMID: 11811748) (PMID: 15316643) (PMID: 15644008) (PMID: 16179535) (PMID: 17093360).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334619 (Nitrous oxide)


  Mrv0541 02231218172D          

  3  2  0  0  0  0            999 V2000
    1.6500   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
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3D MOL for NP0334619 (Nitrous oxide)

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3D SDF for NP0334619 (Nitrous oxide)

  Mrv0541 02231218172D          

  3  2  0  0  0  0            999 V2000
    1.6500   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <DATABASE_ID>
NP0334619

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[O-][N+]#N

> <INCHI_IDENTIFIER>
InChI=1S/N2O/c1-2-3

> <INCHI_KEY>
GQPLMRYTRLFLPF-UHFFFAOYSA-N

> <FORMULA>
N2O

> <MOLECULAR_WEIGHT>
44.0128

> <EXACT_MASS>
44.001062632

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.540463164448618

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diazooxidane

> <JCHEM_LOGP>
-0.021399999999999975

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.840191953533718

> <JCHEM_POLAR_SURFACE_AREA>
54.46

> <JCHEM_REFRACTIVITY>
27.6727

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrous oxide

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0334619 (Nitrous oxide)
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PDB for NP0334619 (Nitrous oxide)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       3.080  -0.770   0.000  0.00  0.00           O-1
HETATM    2  N   UNK     0       4.414   0.000   0.000  0.00  0.00           N+1
HETATM    3  N   UNK     0       5.747   0.770   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2                                                            
MASTER        0    0    0    0    0    0    0    0    3    0    4    0
END

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3D PDB for NP0334619 (Nitrous oxide)
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SMILES for NP0334619 (Nitrous oxide)
[O-][N+]#N
Download
INCHI for NP0334619 (Nitrous oxide)
InChI=1S/N2O/c1-2-3
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View in JSmol
Synonyms
ValueSource
Diazyne 1-oxideChEBI
Dinitrogen monoxideChEBI
DistickstoffmonoxidChEBI
e942ChEBI
Factitious airChEBI
Gaz hilarantChEBI
LachgasChEBI
Laughing gasChEBI
N2OChEBI
Nitrogen protoxideChEBI
Nitrogenium oxydulatumChEBI
NNOChEBI
Oxyde nitreuxChEBI
Protoxyde d'azoteChEBI
R-744aChEBI
Stickstoff(I)-oxidChEBI
Dinitrogen oxideKegg
FEMA 2779HMDB
Gas, laughingHMDB
Hyponitrous acid anhydrideHMDB
NitralHMDB
Nitrogen hypoxideHMDB
Nitrogen monoxideHMDB
Nitrogen oxide (N2O)HMDB
Nitrous oxide (JP15/usp)HMDB
Nitrous oxide, compressedHMDB
Nitrous oxide, jan, usanHMDB
Nitrous oxide, refrigerated liquidHMDB
Nitrous-oxideHMDB
Oxide, nitrousHMDB
oxido NitrosoHMDB
Oxidodinitrogen(N--N)HMDB
StickdioxydHMDB
Nitrous oxideChEBI
Chemical FormulaN2O
Average Mass44.0128 Da
Monoisotopic Mass44.00106 Da
IUPAC Namediazooxidane
Traditional Namenitrous oxide
CAS Registry NumberNot Available
SMILES
[O-][N+]#N
InChI Identifier
InChI=1S/N2O/c1-2-3
InChI KeyGQPLMRYTRLFLPF-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as other non-metal nitrides. These are inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassOther non-metal organides  
Sub ClassOther non-metal nitrides  
Direct ParentOther non-metal nitrides  
Alternative Parents
Substituents
  • Other non-metal nitride
    • 

  • Inorganic nitride
    • 

  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.021ChemAxon
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area54.46 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity27.67 m³·mol⁻¹ChemAxon
Polarizability2.54 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0035807  
DrugBank IDDB06690  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB014561  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC00887  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNitrous_oxide  
METLIN IDNot Available
PubChem Compound948  
PDB IDNot Available
ChEBI ID17045  
Good Scents IDNot Available
References
General References
  1. Nagata A, Nakao Si S, Nishizawa N, Masuzawa M, Inada T, Murao K, Miyamoto E, Shingu K: Xenon inhibits but N(2)O enhances ketamine-induced c-Fos expression in the rat posterior cingulate and retrosplenial cortices. Anesth Analg. 2001 Feb;92(2):362-8. doi: 10.1097/00000539-200102000-00016. [PubMed:11159233  ] 
  2. Zacny JP, Hurst RJ, Graham L, Janiszewski DJ: Preoperative dental anxiety and mood changes during nitrous oxide inhalation. J Am Dent Assoc. 2002 Jan;133(1):82-8. doi: 10.14219/jada.archive.2002.0026. [PubMed:11811748  ] 
  3. Schonherr ME, Hollmann MW, Graf B: [Nitrous oxide. Sense or nonsense for today's anaesthesia]. Anaesthesist. 2004 Sep;53(9):796-812. doi: 10.1007/s00101-004-0742-9. [PubMed:15316643  ] 
  4. Hancock SM, Eastwood JR, Mahajan RP: Effects of inhaled nitrous oxide 50% on estimated cerebral perfusion pressure and zero flow pressure in healthy volunteers. Anaesthesia. 2005 Feb;60(2):129-32. doi: 10.1111/j.1365-2044.2004.04035.x. [PubMed:15644008  ] 
  5. Sommer N, Romano C, Jevtovic-Todorovic V: Chronic exposure to nitrous oxide increases [3H]MK801 binding in the cerebral cortex, but not in the hippocampus of adult mice. Ann N Y Acad Sci. 2005 Aug;1053:301-8. doi: 10.1196/annals.1344.026. [PubMed:16179535  ] 
  6. Smith I: Nitrous oxide in ambulatory anaesthesia: does it have a place in day surgical anaesthesia or is it just a threat for personnel and the global environment? Curr Opin Anaesthesiol. 2006 Dec;19(6):592-6. doi:  10.1097/01.aco.0000247339.84685.d7. [PubMed:17093360  ] 
  7. Gayet S, Bernit E, Sati H, Veit V, Mazodier K, Schleinitz N, Kaplanski G, Harle JR: [Pain prevention with fixed 50% nitrous oxide-oxygen mixture during bone-marrow biopsy]. Rev Med Interne. 2009 Mar;30(3):208-14. doi: 10.1016/j.revmed.2008.09.006. Epub  2008 Nov 6. [PubMed:18992971  ] 
  8. Eilers H, Larson MD: The effect of ketamine and nitrous oxide on the human pupillary light reflex during general anesthesia. Auton Neurosci. 2010 Jan 15;152(1-2):108-14. doi: 10.1016/j.autneu.2009.10.004.  Epub 2009 Nov 11. [PubMed:19910265  ] 
  9. Rault JL, Lay DC Jr: Nitrous oxide by itself is insufficient to relieve pain due to castration in piglets. J Anim Sci. 2011 Oct;89(10):3318-25. doi: 10.2527/jas.2011-4104. Epub 2011 May  27. [PubMed:21622873  ] 
  10. Cousaert C, Heylens G, Audenaert K: Laughing gas abuse is no joke. An overview of the implications for psychiatric practice. Clin Neurol Neurosurg. 2013 Jul;115(7):859-62. doi:  10.1016/j.clineuro.2013.04.004. Epub 2013 May 1. [PubMed:23643142  ] 
  11. Lam AM, Mayberg TS, Eng CC, Cooper JO, Bachenberg KL, Mathisen TL: Nitrous oxide-isoflurane anesthesia causes more cerebral vasodilation than an equipotent dose of isoflurane in humans. Anesth Analg. 1994 Mar;78(3):462-8. doi: 10.1213/00000539-199403000-00007. [PubMed:7880215  ]