Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=NN1CCCC[C@H]1C2=CC=CN=C2
InChI
InChIKey=BXYPVKMROLGXJI-JTQLQIEISA-N
InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| 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
Edited
Mon Mar 31 22:07:56 GMT 2025
by
admin
on
Mon Mar 31 22:07:56 GMT 2025
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| Record UNII |
37X858NS29
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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7069270
Created by
admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025
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PRIMARY | |||
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DTXSID401031248
Created by
admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025
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PRIMARY | |||
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Tobacco-specific nitrosamines
Created by
admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025
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PRIMARY | N-nitrosoanabasine (NAB) | ||
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1133-64-8
Created by
admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025
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PRIMARY | |||
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37X858NS29
Created by
admin on Mon Mar 31 22:07:56 GMT 2025 , Edited by admin on Mon Mar 31 22:07:56 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
NAB (ng/cigarette)
Canadian = 82.0 SD(5.3)
Imported = 240.0 SD(?)
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RACEMATE -> ENANTIOMER |
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