L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

1398569-75-9
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CAS Name

L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C30H34Cl2FN5O4.C7H8O3S

Cite this Page

L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1398569-75-9 (retrieved 2024-09-18) (CAS RN: 1398569-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H34Cl2FN5O4.C7H8O3S/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10)/t16-,20+,21+,23-,30-;/m1./s1

InChIKey

InChIKey=NHIUKVHKLJSJEA-LINJWFRASA-N

SMILES

O=C1[C@@]2(C3(N[C@@H](C(N[C@@H]4CC[C@@H](C(N)=O)OC4)=O)[C@@H]2C=5C(F)=C(Cl)N=CC5)CCC(C)(C)CC3)C=6C(N1)=CC(Cl)=CC6.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(N)C1OCC(NC(=O)C2NC3(CCC(C)(C)CC3)C4(C(=O)NC5=CC(Cl)=CC=C54)C2C=6C=CN=C(Cl)C6F)CC1.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • L-erythro-Hexonamide, 2,6-anhydro-5-[[[(3′R,4′S,5′R)-6′′-chloro-4′-(2-chloro-3-fluoro-4-pyridinyl)-1′′,2′′-dihydro-4,4-dimethyl-2′′-oxodispiro[cyclohexane-1,2′-pyrrolidine-3′,3′′-[3H]indol]-5′-yl]carbonyl]amino]-3,4,5-trideoxy-, 4-methylbenzenesulfonate (1:1)
  • Milademetan tosylate
  • DS 3032b
  • RAIN 32 Ts

Deleted or Replaced CAS Registry Numbers

1802574-67-9