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Substance Name: N(6)-4-Iodophenylmitomycin C
RN: 88854-43-7
InChIKey: KLSKYJVCCFNUCR-YDBSYXHISA-N

Molecular Formula

  • C21-H21-I-N4-O5

Molecular Weight

  • 536.3199
 
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Names and Synonyms

Results Name

  • N(6)-4-Iodophenylmitomycin C

Synonym

  • N(6)-4-Iodophenylmitomycin C

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-6-((4-iodophenyl)amino)-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 88854-43-7

System Generated Number

  • 0088854437

Structure Descriptors

InChI

1S/C21H21IN4O5/c1-9-15(24-11-5-3-10(22)4-6-11)18(28)14-12(8-31-20(23)29)21(30-2)19-13(25-19)7-26(21)16(14)17(9)27/h3-6,12-13,19,24-25H,7-8H2,1-2H3,(H2,23,29)/t12-,13+,19+,21-/m1/s1

InChIKey

KLSKYJVCCFNUCR-YDBSYXHISA-N

Smiles

[C@@]12([C@H]3N[C@H]3CN1C1=C([C@H]2COC(=O)N)C(=O)C(=C(C1=O)C)Nc1ccc(I)cc1)OC