Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H38N2O8.C2H2O4 |
| Molecular Weight | 668.6876 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]4([H])N(CCC5=C4NC6=C5C=CC=C6)C2
InChI
InChIKey=DUKYLQQMCIZGHM-UZXCFUCJSA-N
InChI=1S/C32H38N2O8.C2H2O4/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5;3-1(4)2(5)6/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3;(H,3,4)(H,5,6)/t18-,21+,23-,26-,27+,30+;/m1./s1
| Molecular Formula | C2H2O4 |
| Molecular Weight | 90.0349 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C32H38N2O8 |
| Molecular Weight | 578.6527 |
| 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
Sat Dec 16 10:58:41 UTC 2023
by
admin
on
Sat Dec 16 10:58:41 UTC 2023
|
| Record UNII |
9X2GS858BC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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m4189
Created by
admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023
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PRIMARY | Merck Index | ||
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9X2GS858BC
Created by
admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023
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PRIMARY | |||
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119506-01-3
Created by
admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023
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70501720
Created by
admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
