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Product Overview

Product Code

TRC-D494185

CAS Number

905449-88-9

Product Format

Neat

Molecular Formula

C70H94Cl2N6O20S2

Molecular Weight

1474.56

API Family

Mertansine

Product Categories

Impurity Reference Materials , TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

N2',N2'''-[Dithiobis(1-oxo-3,1-propanediyl)]bis[N2'-deacetyl-maytansine

CAS Number

905449-88-9

Molecular Formula

C70H94Cl2N6O20S2

Molecular Weight

1474.56

SMILES

O=C(C[C@H](OC([C@H](C)N(C)C(CCSSCCC(N(C)[C@@H](C)C(O[C@H]([C@@]([C@H]1[C@@H]2C)(O1)C)CC(N(C)C3=CC(C/C(C)=C/C=C/[C@@H](OC)[C@]4(O)NC(O[C@H]2C4)=O)=CC(OC)=C3Cl)=O)=O)=O)=O)=O)[C@@]([C@H]5[C@@H]6C)(O5)C)N(C)C7=CC(C/C(C)=C/C=C/[C@@H](OC)[C@]8(O)NC(O[C@H]6C8)=O)=CC(OC)=C7Cl

InChI

InChI=1S/C70H94Cl2N6O20S2/c1-37-19-17-21-51(91-15)69(87)35-49(93-65(85)73-69)39(3)61-67(7,97-61)53(33-57(81)77(11)45-29-43(27-37)31-47(89-13)59(45)71)95-63(83)41(5)75(9)55(79)23-25-99-100-26-24-56(80)76(10)42(6)64(84)96-54-34-58(82)78(12)46-30-44(32-48(90-14)60(46)72)28-38(2)20-18-22-52(92-16)70(88)36-50(94-66(86)74-70)40(4)62-68(54,8)98-62/h17-22,29-32,39-42,49-54,61-62,87-88H,23-28,33-36H2,1-16H3,(H,73,85)(H,74,86)/b21-17+,22-18+,37-19+,38-20+/t39-,40-,41+,42+,49+,50+,51-,52-,53+,54+,61-,62-,67+,68+,69+,70+/m1/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Mertansine

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Product Overview

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Chemical Data

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N2',​N2'''-​[Dithiobis(1-​oxo-​3,​1-​propanediyl)​]​bis[N2'-​deacetyl- maytansine

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