MERTANSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H48ClN3O10S
Molecular Weight	738.288
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@@]1(C)[C@H](CC(=O)N(C)C3=C(Cl)C(OC)=CC(C\C(C)=C\C=C\[C@@H](OC)[C@@]4(O)C[C@]([H])(OC(=O)N4)[C@H]2C)=C3)OC(=O)[C@H](C)N(C)C(=O)CCS

InChI

InChIKey=ANZJBCHSOXCCRQ-FKUXLPTCSA-N

InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H48ClN3O10S
Molecular Weight	738.288
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:25:40 UTC 2023` Edited by `admin` on `Fri Dec 15 15:25:40 UTC 2023`
Record UNII	DDZ29HGH0E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MERTANSINE

Common Name

English

MAYTANSINE, N2'-DEACETYL-N2'-(3-MERCAPTO-1-OXOPROPYL)-

Common Name

English

DM1

Common Name

English

N2'-DEACETYL-N2'-(3-MERCAPTO-1-OXOPROPYL)-MAYTANSINE

Common Name

English

MAYTANSINOID DM1 [MI]

Common Name

English

MAYTANSINOID DM 1

Common Name

English

N2'-DEACETYL-N2'-(3-MERCAPTO-1-OXOPROPYL)-MAYTANSINE, L-

Common Name

English

DM-1

Common Name

English

Code System Code Type Description

FDA UNII

DDZ29HGH0E