U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37ClN2O8
Molecular Weight 565.055
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAYTANSINOL

SMILES

[H][C@@]12O[C@@]1(C)[C@@H](O)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

InChI

InChIKey=QWPXBEHQFHACTK-RZKXNLMUSA-N
InChI=1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MAYTANSINOL
Common Name English
3-O-DE(2-(ACETYLMETHYLAMINO)-1-OXOPROPYL)MAYTANSINE
Common Name English
MAYTANSINE, 3-O-DE(2-(ACETYLMETHYLAMINO)-1-OXOPROPYL)-
Common Name English
Ansamitocin P-0
Common Name English
Ansamitocin P 0
Common Name English
NSC-239386
Code English
Code System Code Type Description
PUBCHEM
9915934
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
CAS
57103-68-1
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
NSC
239386
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
FDA UNII
ZWJ9A2AJ2U
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID90713839
Created by admin on Sat Dec 16 19:08:08 GMT 2023 , Edited by admin on Sat Dec 16 19:08:08 GMT 2023
PRIMARY