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Substance Name: Cemadotin [INN]
RN: 159776-69-9
UNII: 6SQ8M7ZSFV
InChIKey: XSAKVDNHFRWJKS-IIZANFQQSA-N

Note

  • A synthetic derivative of dolostatin 15; interacts with microtubules & inhibits mitosis.

Molecular Formula

  • C35-H56-N6-O5

Molecular Weight

  • 640.8644
 
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Names and Synonyms

Name of Substance

  • Cemadotin [INN]

Synonyms

  • Cemadotin
  • N,N-Dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-benzyl-L-prolinamide
  • NSC D-669356
  • UNII-6SQ8M7ZSFV

Systematic Name

  • L-Prolinamide, N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 159776-69-9

FDA UNII

  • 6SQ8M7ZSFV

System Generated Number

  • 0159776699

Structure Descriptors

InChI

1S/C35H56N6O5/c1-22(2)28(37-32(43)29(23(3)4)38(7)8)34(45)39(9)30(24(5)6)35(46)41-20-14-18-27(41)33(44)40-19-13-17-26(40)31(42)36-21-25-15-11-10-12-16-25/h10-12,15-16,22-24,26-30H,13-14,17-21H2,1-9H3,(H,36,42)(H,37,43)/t26-,27-,28-,29-,30-/m0/s1

InChIKey

XSAKVDNHFRWJKS-IIZANFQQSA-N

Smiles

CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCc3ccccc3)NC(=O)[C@H](C(C)C)N(C)C