Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H23NO3.CH4O3S |
Molecular Weight | 409.496 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]1(CNCCO1)[C@H](OC2=CC=CC=C2OCC)C3=CC=CC=C3
InChI
InChIKey=CGTZMJIMMUNLQD-STYNFMPRSA-N
InChI=1S/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1
Molecular Formula | C19H23NO3 |
Molecular Weight | 313.3908 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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 15:33:39 UTC 2023
by
admin
on
Fri Dec 15 15:33:39 UTC 2023
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Record UNII |
L94J81YNNY
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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 |
C265
Created by
admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
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m9514
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PRIMARY | Merck Index | ||
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CHEMBL14370
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98769-82-5
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DTXSID8045690
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SUB36041
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KK-35
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L94J81YNNY
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C152163
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98769-84-7
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100000128681
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127150
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DBSALT000890
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60841
Created by
admin on Fri Dec 15 15:33:39 UTC 2023 , Edited by admin on Fri Dec 15 15:33:39 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |