Clentiazem

CAS Registry Number®

96125-53-0

CAS Name

Clentiazem

Molecular Formula

C22H25ClN2O4S

Molecular Mass

448.96

Cite this Page

Clentiazem.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96125-53-0 (retrieved 2024-11-22) (CAS RN: 96125-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3/t20-,21+/m1/s1

InChIKey

InChIKey=GYKFWCDBQAFCLJ-RTWAWAEBSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@H](SC=2C(N(CCN(C)C)C1=O)=CC=C(Cl)C2)C3=CC=C(OC)C=C3

Canonical SMILES

O=C(OC1C(=O)N(C2=CC=C(Cl)C=C2SC1C3=CC=C(OC)C=C3)CCN(C)C)C

Other Names for this Substance

  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-8-chloro-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-
  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-8-chloro-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-
  • (2S,3S)-3-(Acetyloxy)-8-chloro-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • (+)-cis-2-(4-Methoxyphenyl)-3-acetoxy-5-[2-(N,N-dimethylamino)ethyl]-8-chloro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
  • Clentiazem

CAS INSIGHTSTM
Targeted protein degrader structure, illustration