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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22N2O4S
Molecular Weight 386.465
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-Didesmethyldiltiazem

SMILES

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

InChI

InChIKey=ITPLTCJNLBCHHJ-MOPGFXCFSA-N
InChI=1S/C20H22N2O4S/c1-13(23)26-18-19(14-7-9-15(25-2)10-8-14)27-17-6-4-3-5-16(17)22(12-11-21)20(18)24/h3-10,18-19H,11-12,21H2,1-2H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22N2O4S
Molecular Weight 386.465
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 19:21:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:11 GMT 2023
Record UNII
EFG5T3366P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-Didesmethyldiltiazem
Common Name English
(2S,3S)-3-(Acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Systematic Name English
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-aminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-
Systematic Name English
Code System Code Type Description
CAS
115973-28-9
Created by admin on Sat Dec 16 19:21:11 GMT 2023 , Edited by admin on Sat Dec 16 19:21:11 GMT 2023
PRIMARY
PUBCHEM
10000220
Created by admin on Sat Dec 16 19:21:11 GMT 2023 , Edited by admin on Sat Dec 16 19:21:11 GMT 2023
PRIMARY
FDA UNII
EFG5T3366P
Created by admin on Sat Dec 16 19:21:11 GMT 2023 , Edited by admin on Sat Dec 16 19:21:11 GMT 2023
PRIMARY