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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15NO3S
Molecular Weight 301.36
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-2-(4-METHOXYPHENYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE, (2S,3S)-

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=C(NC(=O)[C@@H]2O)C=CC=C3

InChI

InChIKey=LHBHZALHFIQJGJ-CABCVRRESA-N
InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H15NO3S
Molecular Weight 301.36
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one, (2S,3S)- is one of diltiazem impurity.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:29 GMT 2023
Edited
by admin
on Fri Dec 15 15:55:29 GMT 2023
Record UNII
6RN4N3305M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-2-(4-METHOXYPHENYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE, (2S,3S)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-, (2S-CIS)-
Systematic Name English
DILTIAZEM HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Common Name English
(2S,3S)-3-HYDROXY-2-(4-METHOXYPHENYL)-2,3-DIHYDRO-1,5-BENZOTHIAZEPIN-4(5H)-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6057744
Created by admin on Fri Dec 15 15:55:29 GMT 2023 , Edited by admin on Fri Dec 15 15:55:29 GMT 2023
PRIMARY
CAS
42399-49-5
Created by admin on Fri Dec 15 15:55:29 GMT 2023 , Edited by admin on Fri Dec 15 15:55:29 GMT 2023
PRIMARY
FDA UNII
6RN4N3305M
Created by admin on Fri Dec 15 15:55:29 GMT 2023 , Edited by admin on Fri Dec 15 15:55:29 GMT 2023
PRIMARY
PUBCHEM
2733673
Created by admin on Fri Dec 15 15:55:29 GMT 2023 , Edited by admin on Fri Dec 15 15:55:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-799-0
Created by admin on Fri Dec 15 15:55:29 GMT 2023 , Edited by admin on Fri Dec 15 15:55:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY