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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17NO4S
Molecular Weight 343.397
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3NC(=O)[C@@H]2OC(C)=O

InChI

InChIKey=WKLRIRQZTCFCSE-SJORKVTESA-N
InChI=1S/C18H17NO4S/c1-11(20)23-16-17(12-7-9-13(22-2)10-8-12)24-15-6-4-3-5-14(15)19-18(16)21/h3-10,16-17H,1-2H3,(H,19,21)/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H17NO4S
Molecular Weight 343.397
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 08:44:11 GMT 2023
Edited
by admin
on Sat Dec 16 08:44:11 GMT 2023
Record UNII
A825VH5J6V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S)-2-(4-METHOXYPHENYL)-4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPIN-3-YL ACETATE
Systematic Name English
DILTIAZEM HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (2S,3S)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXYPHENYL)-, (2S-CIS)-
Systematic Name English
Code System Code Type Description
CAS
87447-47-0
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
FDA UNII
A825VH5J6V
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID00455591
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
PUBCHEM
11110671
Created by admin on Sat Dec 16 08:44:11 GMT 2023 , Edited by admin on Sat Dec 16 08:44:11 GMT 2023
PRIMARY
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