Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C15H21N3O2.H2O4S |
Molecular Weight | 648.771 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@]12N(C)CC[C@@]1(C)C3=C(C=CC(OC(=O)NC)=C3)N2C.[H][C@]45N(C)CC[C@@]4(C)C6=C(C=CC(OC(=O)NC)=C6)N5C
InChI
InChIKey=YYBNDIVPHIWTPK-KYJQVDHRSA-N
InChI=1S/2C15H21N3O2.H2O4S/c2*1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;1-5(2,3)4/h2*5-6,9,13H,7-8H2,1-4H3,(H,16,19);(H2,1,2,3,4)/t2*13-,15+;/m11./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 | C15H21N3O2 |
Molecular Weight | 275.3461 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:06:14 UTC 2023
by
admin
on
Fri Dec 15 15:06:14 UTC 2023
|
Record UNII |
G63V2J2N71
|
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 |
C47792
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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Code System | Code | Type | Description | ||
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DBSALT000243
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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PRIMARY | |||
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6150
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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PRIMARY | |||
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SUB14866MIG
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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PRIMARY | |||
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m8766
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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PRIMARY | Merck Index | ||
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64-47-1
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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CHEMBL94
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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G63V2J2N71
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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200-585-4
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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C81338
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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DTXSID10889323
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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100000079445
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 UTC 2023
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106047
Created by
admin on Fri Dec 15 15:06:14 UTC 2023 , Edited by admin on Fri Dec 15 15:06:14 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 |