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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H11N3O
Molecular Weight 189.2138
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N'-NITROSOANATABINE

SMILES

O=NN1CC=CC[C@H]1C2=CN=CC=C2

InChI

InChIKey=ZJOFAFWTOKDIFH-JTQLQIEISA-N
InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H11N3O
Molecular Weight 189.2138
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Glucuronidation of tobacco-specific nitrosamines by UGT2B10.
2008-05
Role of human cytochrome P450 (CYP) in the metabolic activation of nitrosamine derivatives: application of genetically engineered Salmonella expressing human CYP.
2002-08
Predicting the mutagenicity of tobacco-related N-nitrosamines in humans using 11 strains of Salmonella typhimurium YG7108, each coexpressing a form of human cytochrome P450 along with NADPH-cytochrome P450 reductase.
2001
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:02:33 GMT 2025
Edited
by admin
on Mon Mar 31 20:02:33 GMT 2025
Record UNII
7V3JJ391AU
Record Status Validated (UNII)
Record Version
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Name Type Language
N'-NITROSOANATABINE
Common Name English
N-NITROSOANATABINE
Preferred Name English
N'-NITROSOANATABINE [IARC]
Common Name English
2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-1-NITROSO-, (S)-
Systematic Name English
NAT
Common Name English
2,3'-BIPYRIDINE, 1,2,3,6-TETRAHYDRO-1-NITROSO-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
7V3JJ391AU
Created by admin on Mon Mar 31 20:02:33 GMT 2025 , Edited by admin on Mon Mar 31 20:02:33 GMT 2025
PRIMARY
CAS
71267-22-6
Created by admin on Mon Mar 31 20:02:33 GMT 2025 , Edited by admin on Mon Mar 31 20:02:33 GMT 2025
PRIMARY
PUBCHEM
51291
Created by admin on Mon Mar 31 20:02:33 GMT 2025 , Edited by admin on Mon Mar 31 20:02:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID70221442
Created by admin on Mon Mar 31 20:02:33 GMT 2025 , Edited by admin on Mon Mar 31 20:02:33 GMT 2025
PRIMARY
MESH
C032978
Created by admin on Mon Mar 31 20:02:33 GMT 2025 , Edited by admin on Mon Mar 31 20:02:33 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
NAT (ng/cigarette) Canadian = 378.8 SD(169.3) Imported = 992.1 SD(332.4)