Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21NO2S.ClH |
| Molecular Weight | 351.891 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]12CCC3=C(C=C(O)C(O)=C3)[C@@]1([H])C4=C(CN2)SC(CCC)=C4
InChI
InChIKey=NQQIUPCHXZFDIL-CQZNTPMBSA-N
InChI=1S/C18H21NO2S.ClH/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14;/h6-8,14,18-21H,2-5,9H2,1H3;1H/t14-,18+;/m1./s1
| Molecular Formula | C18H21NO2S |
| Molecular Weight | 315.43 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:53:44 UTC 2023
by
admin
on
Fri Dec 15 15:53:44 UTC 2023
|
| Record UNII |
HSCUDB295J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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9841397
Created by
admin on Fri Dec 15 15:53:44 UTC 2023 , Edited by admin on Fri Dec 15 15:53:44 UTC 2023
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PRIMARY | |||
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173934-91-3
Created by
admin on Fri Dec 15 15:53:44 UTC 2023 , Edited by admin on Fri Dec 15 15:53:44 UTC 2023
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NON-SPECIFIC STEREOCHEMISTRY | |||
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HSCUDB295J
Created by
admin on Fri Dec 15 15:53:44 UTC 2023 , Edited by admin on Fri Dec 15 15:53:44 UTC 2023
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PRIMARY | |||
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DTXSID50938440
Created by
admin on Fri Dec 15 15:53:44 UTC 2023 , Edited by admin on Fri Dec 15 15:53:44 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |