Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=NN1CCC[C@H]1C2=CN=CC=C2
InChI
InChIKey=XKABJYQDMJTNGQ-VIFPVBQESA-N
InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:16:07 UTC 2023
by
admin
on
Fri Dec 15 21:16:07 UTC 2023
|
| Record UNII |
X656TZ86DX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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5114
Created by
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C008655
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12613538
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DTXSID4021476
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admin on Fri Dec 15 21:16:07 UTC 2023 , Edited by admin on Fri Dec 15 21:16:07 UTC 2023
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16543-55-8
Created by
admin on Fri Dec 15 21:16:07 UTC 2023 , Edited by admin on Fri Dec 15 21:16:07 UTC 2023
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N-NITROSONORNICOTINE
Created by
admin on Fri Dec 15 21:16:07 UTC 2023 , Edited by admin on Fri Dec 15 21:16:07 UTC 2023
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C44414
Created by
admin on Fri Dec 15 21:16:07 UTC 2023 , Edited by admin on Fri Dec 15 21:16:07 UTC 2023
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X656TZ86DX
Created by
admin on Fri Dec 15 21:16:07 UTC 2023 , Edited by admin on Fri Dec 15 21:16:07 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
NNN (ng/cigarette)
Canadian = 286.9 SD(118.3)
Imported = 1776.2 SD(817.2)
|
||
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PARENT -> DERIVATIVE |
Carcinogenic substance present in cigarette smoke
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
METABOLITE -> PARENT |
Pre-clinical;
IN-VIVO
URINE
|
