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(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate

Catalog No. :
ACDSPZ678
CAS No. :
1375089-56-7
Molecular Formula :
C42H55ClN4O12
Molecular Weight :
843.37

IUPAC Name:(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate

(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate structure diagram
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Product Information

Product Name(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate
IUPAC Name(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate
Molecular FormulaC42H55ClN4O12
Molecular Weight843.37
SMILESC[C@]12[C@@]([C@@H]([C@]3([H])C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCCCCN5C(C=CC5=O)=O)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)([H])O1
InChI KeyUGBPANNIQRLRII-RJPAQOSPSA-N
SynonymMaytansine, N2'-deacetyl-N2'-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-;MC-DM1;(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate
CAS No.1375089-56-7
PubChem CID155819513

Safety Data

Pictogram
CorrosiveEnvironmental hazardHarmful or irritant
Signal Word
Danger
Hazard Statement(s)
H302-H318-H410
Precautionary Statement(s)
P273-P280-P301+P312+P330-P305+P351+P338+P310

Synthetic Route by SureRoute

1. ACDSPZ678 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACDTRO590 route compound structure diagram
    ACDTRO59057103-68-1 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACDSPZ678 route product structure diagram
    ACDSPZ6781375089-56-7 In Stock
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2. ACDSPZ678 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACKUPS734 route compound structure diagram
    ACKUPS73455750-53-3 In Stock
  4. Then
  5. ACDSPZ678 route product structure diagram
    ACDSPZ6781375089-56-7 In Stock
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