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Substance Name: Napavin
RN: 126443-96-7
InChIKey: JZGDNMXSOCDEFQ-UHFFFAOYSA-N

Note

  • Photoreactive vinblastine derivative.

Molecular Formula

  • C51-H62-N10-O9

Molecular Weight

  • 959.1118
 
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Names and Synonyms

Name of Substance

  • Napavin

Synonyms

  • 3-(((2-((4-Azido-2-nitrophenyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine
  • 3-(((2-Amino-(4-azido-2-nitrophenyl)ethyl)amino)carbonyl)-O(4)-deacetyl-3-de-(methoxycarbonyl)vincaleukoblastine

Systematic Name

  • Vincaleukoblastine, 3-(((2-((4-azido-2-nitrophenyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-

Registry Numbers

CAS Registry Number

  • 126443-96-7

System Generated Number

  • 0126443967

Structure Descriptors

InChI

1S/C51H62N10O9/c1-6-47(65)26-30-27-50(46(64)70-5,41-33(15-21-59(28-30)29-47)32-11-8-9-12-36(32)55-41)35-24-34-38(25-40(35)69-4)58(3)43-49(34)17-22-60-20-10-16-48(7-2,42(49)60)44(62)51(43,66)45(63)54-19-18-53-37-14-13-31(56-57-52)23-39(37)61(67)68/h8-14,16,23-25,30,42-44,53,55,62,65-66H,6-7,15,17-22,26-29H2,1-5H3,(H,54,63)

InChIKey

JZGDNMXSOCDEFQ-UHFFFAOYSA-N

Smiles

CCC1(CC2CC(c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=O)NCCNc1ccc(cc1[N+](=O)[O-])N=[N+]=[N-])O)O)CC)C)C(=O)OC)O