Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C19H22N2O.H2O4S |
Molecular Weight | 686.86 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=C4C=CC=CC4=NC=C3.[H][C@@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@@H](O)C7=C8C=CC=CC8=NC=C7
InChI
InChIKey=WBBHOISPYYYBTC-SJFRDBBCSA-N
InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18+,19-;/m00./s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C19H22N2O |
Molecular Weight | 294.3908 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:16 UTC 2023
by
admin
on
Fri Dec 15 15:01:16 UTC 2023
|
Record UNII |
342JR840KF
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C271
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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Code System | Code | Type | Description | ||
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11948449
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100000080091
Created by
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227-708-4
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admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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342JR840KF
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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CHEMBL588619
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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DTXSID80974891
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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5949-16-6
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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C75266
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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SUB13376MIG
Created by
admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |