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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O3S
Molecular Weight 358.455
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL DESACETYL DILTIAZEM

SMILES

CNCCN1C2=CC=CC=C2S[C@H]([C@@H](O)C1=O)C3=CC=C(OC)C=C3

InChI

InChIKey=HNXJRKQNTGIDDU-MSOLQXFVSA-N
InChI=1S/C19H22N2O3S/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13/h3-10,17-18,20,22H,11-12H2,1-2H3/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O3S
Molecular Weight 358.455
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 08:44:13 UTC 2023
Edited
by admin
on Sat Dec 16 08:44:13 UTC 2023
Record UNII
3QX2LKX8XZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL DESACETYL DILTIAZEM
Common Name English
CTK5E8725
Code English
AC1L4RAI
Code English
N-DESMETHYLDEACETYLDILTIAZEM
Common Name English
AG-K-03466
Code English
SURECN5821022
Code English
(2S,3S)-3-HYDROXY-2-(3-METHOXYPHENYL)-5-(2-(METHYLAMINO)ETHYL)-2,3-DIHYDROBENZO(B)(1,4)THIAZEPIN-4(5H)-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40235531
Created by admin on Sat Dec 16 08:44:13 UTC 2023 , Edited by admin on Sat Dec 16 08:44:13 UTC 2023
PRIMARY
CAS
86408-44-8
Created by admin on Sat Dec 16 08:44:13 UTC 2023 , Edited by admin on Sat Dec 16 08:44:13 UTC 2023
PRIMARY
PUBCHEM
158945
Created by admin on Sat Dec 16 08:44:13 UTC 2023 , Edited by admin on Sat Dec 16 08:44:13 UTC 2023
PRIMARY
FDA UNII
3QX2LKX8XZ
Created by admin on Sat Dec 16 08:44:13 UTC 2023 , Edited by admin on Sat Dec 16 08:44:13 UTC 2023
PRIMARY
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