Volasertib

CAS Registry Number®

755038-65-4
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CAS Name

Volasertib

Molecular Formula

C34H50N8O3

Molecular Mass

618.81

Cite this Page

Volasertib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=755038-65-4 (retrieved 2024-06-18) (CAS RN: 755038-65-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1

InChIKey

InChIKey=SXNJFOWDRLKDSF-STROYTFGSA-N

SMILES

C(C)(C)N1C=2C(N(C)C(=O)[C@H]1CC)=CN=C(NC3=C(OC)C=C(C(N[C@@H]4CC[C@H](CC4)N5CCN(CC6CC6)CC5)=O)C=C3)N2

Canonical SMILES

O=C(NC1CCC(N2CCN(CC2)CC3CC3)CC1)C4=CC=C(NC5=NC=C6C(=N5)N(C(C(=O)N6C)CC)C(C)C)C(OC)=C4

Other Names for this Substance

  • Benzamide, N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-
  • N-[trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxybenzamide
  • BI 6727
  • Volasertib

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