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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H46ClN3O10
Molecular Weight 692.196
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAYTANSINE

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(C)=O

InChI

InChIKey=WKPWGQKGSOKKOO-RSFHAFMBSA-N
InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27+,30+,33+,34+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MAYTANSINE
MI   USAN  
USAN  
Official Name English
MAITANSINE
INN  
INN  
Official Name English
MAYTANSINE [MI]
Common Name English
MAYTANSINE [USAN]
Common Name English
N-ACETYL-N-METHYL-L-ALANINE(1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-11-CHLORO-21-HYDROXY-12,20-DIMETHOXY-2,5,9,16-TETRAMETHY-8,23-DIOXO-4,24-DIOXA-9,22-DIAZATETRACYCLO(19.3.1.1(SUP 10,14).0(SUP 3,5))HEXACOSA-10,12,14(26),16,18-PENTAEN-6-YL ESTER
Common Name English
maitansine [INN]
Common Name English
NSC-153858
Code English
Classification Tree Code System Code
NCI_THESAURUS C67477
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
Code System Code Type Description
CAS
35846-53-8
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
252-754-7
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
FDA UNII
14083FR882
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
WIKIPEDIA
MAYTANSINE
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
EVMPD
SUB08638MIG
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID00879995
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
MERCK INDEX
m7099
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY Merck Index
NSC
153858
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
INN
4470
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
SMS_ID
100000081739
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
NCI_THESAURUS
C626
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
MESH
D008453
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL292702
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
CHEBI
6701
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY
PUBCHEM
5281828
Created by admin on Fri Dec 15 15:49:48 UTC 2023 , Edited by admin on Fri Dec 15 15:49:48 UTC 2023
PRIMARY