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Product Overview

Product Code

TRC-D199035

CAS Number

912569-84-7

Product Format

Neat

Molecular Formula

C36H50ClN3O10S

Molecular Weight

752.31

API Family

Maytansine

Product Categories

Anticancerous, TRC, Anticancerous, Impurity Reference Materials , Additional Cancer Bioactive Molecules, Anticancerous

Product Type

Metabolite, Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

N2'-Deacetyl-N2'-[3-(methylthio)-1-oxopropyl]-maytansine

CAS Number

912569-84-7

Molecular Formula

C36H50ClN3O10S

Molecular Weight

752.31

Accurate Mass

751.29

SMILES

ClC1=C(N(C)C(C[C@@H]2OC([C@H](C)N(C)C(CCSC)=O)=O)=O)C=C(C=C1OC)C/C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@]([C@H]([C@H]4[C@]2(O4)C)C)([H])OC(N3)=O

InChI

InChI=1S/C36H50ClN3O10S/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1

IUPAC

(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-methyl-N-(3-(methylthio)propanoyl)-L-alaninate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Maytansine

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