(3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid

CAS Registry Number®

246529-22-6

CAS Name

(3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid

Molecular Formula

C44H79NO5

Molecular Mass

702.10

Cite this Page

(3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=246529-22-6 (retrieved 2024-11-21) (CAS RN: 246529-22-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1

InChIKey

InChIKey=SHKXZIQNFMOPBS-OOMQYRRCSA-N

SMILES

O[C@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)CC3)[H])(C[C@H](O)[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(NC(=O)CCCCCCCCCCCCCCCCCCC)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 7,12-dihydroxy-3-[(1-oxoeicosyl)amino]-, (3β,5β,7α,12α)-
  • (3β,5β,7α,12α)-7,12-Dihydroxy-3-[(1-oxoeicosyl)amino]cholan-24-oic acid
  • Aramchol
  • C20-FABAC
  • (3β)-Arachidylamido-7α,12α-dihydroxy-5β-cholan-24-oic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration