Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H45N3O8 |
| Molecular Weight | 587.7043 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CO[C@H]1C[C@H](C)CC2=C(O)C(NC(=O)\C(C)=C\C=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)=CC(O)=C2NCC=C
InChI
InChIKey=OAKGNIRUXAZDQF-TXHRRWQRSA-N
InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
| Molecular Formula | C31H45N3O8 |
| Molecular Weight | 587.7043 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:14:33 UTC 2023
by
admin
on
Fri Dec 15 16:14:33 UTC 2023
|
| Record UNII |
BZF2ZM0I5Z
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Official Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C2516
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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FDA ORPHAN DRUG |
242907
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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| Code System | Code | Type | Description | ||
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CHEMBL1184904
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DTXSID70870378
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C80378
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9000
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11534420
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71956
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100000175017
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BZF2ZM0I5Z
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DB05626
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m9552
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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PRIMARY | Merck Index | ||
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857402-23-4
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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TT-114
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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71975
Created by
admin on Fri Dec 15 16:14:33 UTC 2023 , Edited by admin on Fri Dec 15 16:14:33 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
