Atrimustine

CAS Registry Number®

75219-46-4

CAS Name

Atrimustine

Molecular Formula

C41H47Cl2NO6

Molecular Mass

720.72

Cite this Page

Atrimustine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75219-46-4 (retrieved 2024-11-21) (CAS RN: 75219-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m1/s1

InChIKey

InChIKey=IFJUINDAXYAPTO-UUBSBJJBSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(COC(CCCC6=CC=C(N(CCCl)CCCl)C=C6)=O)=O)[H]

Canonical SMILES

O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)COC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)CCC34)C=6C=CC=CC6

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate]
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate], (3β,5β)-
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate]
  • KM 2210
  • Bestrabucil

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration