Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H18N2O4S.C5H7N3 |
| Molecular Weight | 443.519 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC(N)=NC=C1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O
InChI
InChIKey=HGZKSDMLFRCOIU-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C5H7N3/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-4-2-3-7-5(6)8-4/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);2-3H,1H3,(H2,6,7,8)/t11-,12+,14-;/m1./s1
| Molecular Formula | C16H18N2O4S |
| Molecular Weight | 334.39 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C5H7N3 |
| Molecular Weight | 109.1292 |
| 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
Sat Dec 16 11:52:18 UTC 2023
by
admin
on
Sat Dec 16 11:52:18 UTC 2023
|
| Record UNII |
C3VTF4URW3
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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156596367
Created by
admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023
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PRIMARY | |||
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C3VTF4URW3
Created by
admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023
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114383-18-5
Created by
admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 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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ACTIVE MOIETY |