CAS No. 139504-50-0

Mertansine Pricing >

 

Product Information

Chemical Formula: C35H48ClN3O10S
Molecular Weight:738.29
Synonyms:N2'-Deacetyl-N2'-(3-Mercapto-1-Oxopropyl)-Maytansine; Maytansinoid Dm 1; Dm1 Mertansine; Maytansine Dm1
MDL No.:MFCD28398157
EINECS / EC No.:N/A
Pubchem CID:11343137
IUPAC Name:[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-sulfanylpropanoyl)amino]propanoate
Standard InchI: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
InchI Key:ANZJBCHSOXCCRQ-FKUXLPTCSA-N
SMILES:CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCS)C)C)OC)(NC(=O)O2)O
Appearance:white solid
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):1.33±0.1 g/cm3 (20 oC 760 Torr), Calc.*

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07