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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19NO4S
Molecular Weight 369.434
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Des[5-(2-dimethylamino)ethyl] Diltiazem 5-Ethenyl

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(C=C)C(=O)[C@@H]2OC(C)=O

InChI

InChIKey=FGTNSKZTULGDDS-MOPGFXCFSA-N
InChI=1S/C20H19NO4S/c1-4-21-16-7-5-6-8-17(16)26-19(18(20(21)23)25-13(2)22)14-9-11-15(24-3)12-10-14/h4-12,18-19H,1H2,2-3H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H19NO4S
Molecular Weight 369.434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:15:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:31 GMT 2023
Record UNII
6ASK3KJV92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Des[5-(2-dimethylamino)ethyl] Diltiazem 5-Ethenyl
Common Name English
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-ethenyl-2,3-dihydro-2-(4-methoxyphenyl)-
Systematic Name English
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-5-vinyl-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
166177233
Created by admin on Sat Dec 16 19:15:32 GMT 2023 , Edited by admin on Sat Dec 16 19:15:32 GMT 2023
PRIMARY
FDA UNII
6ASK3KJV92
Created by admin on Sat Dec 16 19:15:32 GMT 2023 , Edited by admin on Sat Dec 16 19:15:32 GMT 2023
PRIMARY
CAS
2055466-64-1
Created by admin on Sat Dec 16 19:15:32 GMT 2023 , Edited by admin on Sat Dec 16 19:15:32 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY