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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26N2O4S
Molecular Weight 414.518
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R,3S)-5-(2-(DIMETHYLAMINO)ETHYL)-2-(4-METHOXYPHENYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE

SMILES

[H][C@@]1(SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O)C3=CC=C(OC)C=C3

InChI

InChIKey=HSUGRBWQSSZJOP-NHCUHLMSSA-N
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26N2O4S
Molecular Weight 414.518
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 08:44:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:09 GMT 2023
Record UNII
H9R95ET7JS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R,3S)-5-(2-(DIMETHYLAMINO)ETHYL)-2-(4-METHOXYPHENYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE
Systematic Name English
DILTIAZEM HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (2R-TRANS)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (2R,3S)-
Systematic Name English
DILTIAZEM RELATED COMPOUND A
Common Name English
Code System Code Type Description
PUBCHEM
978317
Created by admin on Sat Dec 16 08:44:09 GMT 2023 , Edited by admin on Sat Dec 16 08:44:09 GMT 2023
PRIMARY
FDA UNII
H9R95ET7JS
Created by admin on Sat Dec 16 08:44:09 GMT 2023 , Edited by admin on Sat Dec 16 08:44:09 GMT 2023
PRIMARY
CAS
111188-71-7
Created by admin on Sat Dec 16 08:44:09 GMT 2023 , Edited by admin on Sat Dec 16 08:44:09 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY