Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C31H33N5O4.2C2H6O3S.H2O |
| Molecular Weight | 1317.529 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CCS(O)(=O)=O.CCS(O)(=O)=O.COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(C)CC4)C5=CC=CC=C5)=C1.COC(=O)C6=CC=C7C(NC(=O)\C7=C(/NC8=CC=C(C=C8)N(C)C(=O)CN9CCN(C)CC9)C%10=CC=CC=C%10)=C6
InChI
InChIKey=FXFVOZKAPICGNY-NKYWIEMRSA-N
InChI=1S/2C31H33N5O4.2C2H6O3S.H2O/c2*1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;2*1-2-6(3,4)5;/h2*4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2*2H2,1H3,(H,3,4,5);1H2/b2*29-28-;;;
| Molecular Formula | C2H6O3S |
| Molecular Weight | 110.132 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C31H33N5O4 |
| Molecular Weight | 539.6248 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:30:16 UTC 2023
by
admin
on
Fri Dec 15 15:30:16 UTC 2023
|
| Record UNII |
23O68KB9KV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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959762-24-4
Created by
admin on Fri Dec 15 15:30:16 UTC 2023 , Edited by admin on Fri Dec 15 15:30:16 UTC 2023
|
PRIMARY | |||
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23O68KB9KV
Created by
admin on Fri Dec 15 15:30:16 UTC 2023 , Edited by admin on Fri Dec 15 15:30:16 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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