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Substance Name: Dimethylaminoacetylvincristine
RN: 58105-72-9
InChIKey: MSGCQOUSLPYESS-XUJGLSSCSA-N

Molecular Formula

  • C48-H61-N5-O10

Molecular Weight

  • 869.0428
 
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Names and Synonyms

Name of Substance

  • Dimethylaminoacetylvincristine

Systematic Name

  • Vincaleukoblastine, O4-deacetyl-O4-((dimethylamino)acetyl)-22-oxo-

Registry Numbers

CAS Registry Number

  • 58105-72-9

System Generated Number

  • 0058105729

Structure Descriptors

InChI

1S/C48H62N5O10/c1-8-44(58)23-29-24-46(41(55)61-6,38-32(15-19-51(26-29)27-44)31-13-10-11-14-35(31)49-38)34-21-30-25-47(53(28-54)36(30)22-37(34)60-5)33-16-20-52-18-12-17-45(9-2,39(33)52)40(63-43(57)50(3)4)48(47,59)42(56)62-7/h10-14,17,21-22,28-29,33,39-40,47,49,58-59H,8-9,15-16,18-20,23-27H2,1-7H3/t29-,33+,39-,40-,44+,45-,46+,48+/m1/s1

InChIKey

MSGCQOUSLPYESS-XUJGLSSCSA-N

Smiles

CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6C[CH]7([C@H]8CCN9CC=C[C@@](CC)([C@@H](OC(=O)N(C)C)[C@]7(O)C(=O)OC)[C@@H]89)N(C=O)c6cc5OC)C1