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Substance Name: N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine
RN: 102976-56-7
InChIKey: INDAMCROFGPLSO-WJXVBXJFSA-N

Molecular Formula

  • C52-H62-I-N9-O9

Molecular Weight

  • 1082.12
 
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Names and Synonyms

Name of Substance

  • N-(4-Azido-3-iodosalicyl)-N'-beta-aminoethylvindesine

Synonyms

  • 4-Nasv
  • I(125)-Nasv

Systematic Name

  • Vincaleukoblastine, 3-(((2-((4-azido-2-hydroxy-3-(iodo-125I)benzoyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-

Registry Numbers

CAS Registry Number

  • 102976-56-7

System Generated Number

  • 0102976567

Structure Descriptors

InChI

1S/C52H62IN9O9/c1-6-48(68)25-29-26-51(47(67)71-5,41-31(15-21-61(27-29)28-48)30-11-8-9-12-35(30)57-41)34-23-33-37(24-38(34)70-4)60(3)44-50(33)17-22-62-20-10-16-49(7-2,43(50)62)45(65)52(44,69)46(66)56-19-18-55-42(64)32-13-14-36(58-59-54)39(53)40(32)63/h8-14,16,23-24,29,43-45,57,63,65,68-69H,6-7,15,17-22,25-28H2,1-5H3,(H,55,64)(H,56,66)/i53-2

InChIKey

INDAMCROFGPLSO-WJXVBXJFSA-N

Smiles

c12cc(c(OC)cc2N([C@@H]2[C@@]31CC[N@@]1CC=C[C@@]([C@@H]([C@@]2(C(NCCNC(c2ccc(c(c2O)[125I])N=[N+]=[N-])=O)=O)O)O)([C@@H]31)CC)C)[C@@]1(c2c(CC[N@@]3C[C@@](C[C@@H](C1)C3)(CC)O)c1c([nH]2)cccc1)C(=O)OC