MAYTANSINOID DM3

Details

Stereochemistry	EPIMERIC
Molecular Formula	C37H52ClN3O10S
Molecular Weight	766.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1\C=C\C=C(C)\CC2=CC(OC)=C(Cl)C(=C2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)S)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4

InChI

InChIKey=LJFFDOBFKICLHN-IXWHRVGISA-N

InChI=1S/C37H52ClN3O10S/c1-20-11-10-12-28(48-9)37(46)19-27(49-35(45)39-37)22(3)33-36(5,51-33)29(50-34(44)23(4)40(6)30(42)14-13-21(2)52)18-31(43)41(7)25-16-24(15-20)17-26(47-8)32(25)38/h10-12,16-17,21-23,27-29,33,46,52H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21?,22-,23+,27+,28-,29+,33+,36+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H52ClN3O10S
Molecular Weight	766.341
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:46:09 GMT 2025` Edited by `admin` on `Wed Apr 02 13:46:09 GMT 2025`
Record UNII	XNG6QZ89ZB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAYTANSINOID DM3

Common Name

English

MAYTANSINE, N2'-DEACETYL-N2'-(4-MERCAPTO-1-OXOPENTYL)-

Preferred Name

English

MAYTANSINOID DM 3

Common Name

English

N(2')-DEACETYL-N2-(4-MERCAPTO-4-METHYL-1-OXOPENTYL)-MAYTANSINE

Common Name

English

Code System Code Type Description

CAS

796073-54-6

Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025

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FDA UNII

XNG6QZ89ZB

Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025

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PUBCHEM

11578612

Created by admin on Wed Apr 02 13:46:09 GMT 2025 , Edited by admin on Wed Apr 02 13:46:09 GMT 2025

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