U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O3S.ClH
Molecular Weight 408.942
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEACETYLDILTIAZEM HYDROCHLORIDE

SMILES

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

InChI

InChIKey=XNQWAVFYFJXSHD-VOMIJIAVSA-N
InChI=1S/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H/t18-,19+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H24N2O3S
Molecular Weight 372.481
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Anaphylatoxin C3a induces rapid protein phosphorylation in guinea pig platelets.
1994 Sep-Oct
Inhibitory effects of TA-993, a new 1,5-benzothiazepine derivative, on platelet aggregation.
1996 Apr
Lower incidence of liver graft rejection in patients on diltiazem plus cyclosporine therapy.
1998 Jun
Clinical pharmacokinetics and pharmacodynamics of buspirone, an anxiolytic drug.
1999 Apr
Effects of diltiazem on down-regulation of lymphocyte beta-adrenoceptors in patients with chronic congestive heart failure.
2000 Oct
Pharmacokinetic interaction between tacrolimus and diltiazem: dose-response relationship in kidney and liver transplant recipients.
2002
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:01:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:31 GMT 2023
Record UNII
ZQ8A4H7BT3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEACETYLDILTIAZEM HYDROCHLORIDE
Common Name English
(2S-CIS)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE MONOHYDROCHLORIDE
Systematic Name English
DESACETYLDILTIAZEM HYDROCHLORIDE
Common Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-, MONOHYDROCHLORIDE, (2S,3S)-
Systematic Name English
1,5-BENZOTHIAZEPIN-4(5H)-ONE, 5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-, HYDROCHLORIDE (1:1), (2S,3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZQ8A4H7BT3
Created by admin on Sat Dec 16 12:01:31 GMT 2023 , Edited by admin on Sat Dec 16 12:01:31 GMT 2023
PRIMARY
PUBCHEM
12449428
Created by admin on Sat Dec 16 12:01:31 GMT 2023 , Edited by admin on Sat Dec 16 12:01:31 GMT 2023
PRIMARY
CAS
75472-91-2
Created by admin on Sat Dec 16 12:01:31 GMT 2023 , Edited by admin on Sat Dec 16 12:01:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
278-217-7
Created by admin on Sat Dec 16 12:01:31 GMT 2023 , Edited by admin on Sat Dec 16 12:01:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID10226411
Created by admin on Sat Dec 16 12:01:31 GMT 2023 , Edited by admin on Sat Dec 16 12:01:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE