Benzilic acid, (17-hydroxy-20-oxopregn-4-en-3-ylidene)hydrazide, 17-heptanoate

CAS Registry Number®

120023-34-9

CAS Name

Benzilic acid, (17-hydroxy-20-oxopregn-4-en-3-ylidene)hydrazide, 17-heptanoate

Molecular Formula

C42H54N2O5

Molecular Mass

666.89

Cite this Page

Benzilic acid, (17-hydroxy-20-oxopregn-4-en-3-ylidene)hydrazide, 17-heptanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120023-34-9 (retrieved 2024-11-22) (CAS RN: 120023-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H54N2O5/c1-5-6-7-14-19-37(46)49-41(29(2)45)27-24-36-34-21-20-32-28-33(22-25-39(32,3)35(34)23-26-40(36,41)4)43-44-38(47)42(48,30-15-10-8-11-16-30)31-17-12-9-13-18-31/h8-13,15-18,28,34-36,48H,5-7,14,19-27H2,1-4H3,(H,44,47)/t34-,35+,36+,39+,40+,41+/m1/s1

InChIKey

InChIKey=KECPQDDETDYRFU-ZRSVUEMBSA-N

SMILES

C[C@@]12[C@@](OC(CCCCCC)=O)(C(C)=O)CC[C@]1([C@]3([C@](CC2)([C@]4(C)C(CC3)=CC(=NNC(C(O)(C5=CC=CC=C5)C6=CC=CC=C6)=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=NNC(=O)C(O)(C=5C=CC=CC5)C=6C=CC=CC6)CCC4(C)C3CCC21C)CCCCCC

Other Names for this Substance

  • Benzilic acid, (17-hydroxy-20-oxopregn-4-en-3-ylidene)hydrazide, 17-heptanoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration