BMS-181174

Catalog No. :
ACCAZO550
CAS No. :
95056-36-3
Molecular Formula :
C23H25N5O7S2
Molecular Weight :
547.61

IUPAC Name:((1aS,8R,8aR,8bS)-8a-methoxy-5-methyl-6-((2-((4-nitrophenyl)disulfaneyl)ethyl)amino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate

BMS-181174 structure diagram
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Product Information

Product NameBMS-181174
IUPAC Name((1aS,8R,8aR,8bS)-8a-methoxy-5-methyl-6-((2-((4-nitrophenyl)disulfaneyl)ethyl)amino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
Molecular FormulaC23H25N5O7S2
Molecular Weight547.61
SMILESCO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCSSC4=CC=C([N+](=O)[O-])C=C4)C3=O)N1C[C@@H]1N[C@@H]12
InChI KeyZNDJOCJUBZZAMN-ZRQBBWCYSA-N
SynonymN-7-(2-(Nitrophenyldithio)ethyl)mitomycin C;[1aS-(1aalpha,8beta,8aalpha,8balpha)]-8-(Carbamoyloxymethyl)-8a-methoxy-5-methyl-6-[2-(4-nitrophenyldisulfanyl)ethylamino]-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;PubChem ID: 56855;Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-[[2-[(4-nitrophenyl)dithio]ethyl]amino]-, (1aS,8S,8aR,8bS)-
CAS No.95056-36-3

Synthetic Route by SureRoute

1. ACCAZO550 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCAZO550 route product structure diagram
    ACCAZO55095056-36-3
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2. ACCAZO550 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACCAZO550 route product structure diagram
    ACCAZO55095056-36-3
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