Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21N3O3S |
| Molecular Weight | 383.464 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC2=C(S1)N=C3N(CC[C@@]3(O)C2=O)C4=CC=C(C=C4)N5CCOCC5
InChI
InChIKey=KUIAFBSRBMWQQP-HXUWFJFHSA-N
InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1
| Molecular Formula | C20H21N3O3S |
| Molecular Weight | 383.464 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 17:30:26 GMT 2025
by
admin
on
Wed Apr 02 17:30:26 GMT 2025
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| Record UNII |
8F88632PCF
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Code | English |
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8F88632PCF
Created by
admin on Wed Apr 02 17:30:26 GMT 2025 , Edited by admin on Wed Apr 02 17:30:26 GMT 2025
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2649776-79-2
Created by
admin on Wed Apr 02 17:30:26 GMT 2025 , Edited by admin on Wed Apr 02 17:30:26 GMT 2025
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155511990
Created by
admin on Wed Apr 02 17:30:26 GMT 2025 , Edited by admin on Wed Apr 02 17:30:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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![Structure of (4aS)-4a,5,6,7-Tetrahydro-4a-hydroxy-2-methyl-7-[4-(4-morpholinyl)phenyl]-4H-pyrrolo[2,3-b]thieno[3,2-e]pyridin-4-one (ACI)](/img/40f9bdac-c840-46dc-8435-298583297c55.svg "Structure of (4aS)-4a,5,6,7-Tetrahydro-4a-hydroxy-2-methyl-7-[4-(4-morpholinyl)phenyl]-4H-pyrrolo[2,3-b]thieno[3,2-e]pyridin-4-one (ACI)")