Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H29N3O6 |
| Molecular Weight | 491.5357 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)O[C@H]3CCN(CC4=CC=CC=C4)C3
InChI
InChIKey=VXMOONUMYLCFJD-DHLKQENFSA-N
InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1
| Molecular Formula | C27H29N3O6 |
| Molecular Weight | 491.5357 |
| 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
Sat Dec 16 17:48:32 UTC 2023
by
admin
on
Sat Dec 16 17:48:32 UTC 2023
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| Record UNII |
2VBY96ASWJ
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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WHO-VATC |
QC08CA12
Created by
admin on Sat Dec 16 17:48:32 UTC 2023 , Edited by admin on Sat Dec 16 17:48:32 UTC 2023
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WHO-ATC |
C08CA12
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admin on Sat Dec 16 17:48:32 UTC 2023 , Edited by admin on Sat Dec 16 17:48:32 UTC 2023
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NCI_THESAURUS |
C333
Created by
admin on Sat Dec 16 17:48:32 UTC 2023 , Edited by admin on Sat Dec 16 17:48:32 UTC 2023
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| Code System | Code | Type | Description | ||
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39879
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2VBY96ASWJ
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SUB06105MIG
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6746
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DTXSID20909147
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CHEMBL2103761
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C73024
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DB09227
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m2268
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PRIMARY | Merck Index | ||
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BARNIDIPINE
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C050699
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104713-75-9
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290
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100000088412
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443869
Created by
admin on Sat Dec 16 17:48:32 UTC 2023 , Edited by admin on Sat Dec 16 17:48:32 UTC 2023
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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ACTIVE MOIETY |
