Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H31NO6S.C4H11NO3 |
| Molecular Weight | 642.76 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.[H][C@@]12CC3=C(C=NC(OCC4=CC(=CC=C4)C5=C(C)C=C(OCCCS(C)(=O)=O)C=C5C)=C3)[C@]1([H])[C@H]2C(O)=O
InChI
InChIKey=IMBNJMBRVNORTO-SQMFDTLJSA-N
InChI=1S/C29H31NO6S.C4H11NO3/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32;5-4(1-6,2-7)3-8/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32);6-8H,1-3,5H2/t23-,27-,28+;/m1./s1
| Molecular Formula | C29H31NO6S |
| Molecular Weight | 521.625 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H11NO3 |
| Molecular Weight | 121.135 |
| 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 11:17:55 GMT 2023
by
admin
on
Sat Dec 16 11:17:55 GMT 2023
|
| Record UNII |
62602AEC6M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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2056254-98-7
Created by
admin on Sat Dec 16 11:17:55 GMT 2023 , Edited by admin on Sat Dec 16 11:17:55 GMT 2023
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PRIMARY | |||
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62602AEC6M
Created by
admin on Sat Dec 16 11:17:55 GMT 2023 , Edited by admin on Sat Dec 16 11:17:55 GMT 2023
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PRIMARY | |||
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131633978
Created by
admin on Sat Dec 16 11:17:55 GMT 2023 , Edited by admin on Sat Dec 16 11:17:55 GMT 2023
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PRIMARY |
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|---|---|---|---|---|
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ACTIVE MOIETY |