Mertansine 13CD3

Product Name Mertansine 13CD3
Alternate Names Mertansine Stable Isotopes, Stable Isotopes of Mertansine
CAT No. CS-CX-00740
CAS No. 139504-50-0 (Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. 742.3 g/mol
Mol. For. C3413CH45D3ClN3O10S
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Mertansine
Smileys CC1C2CC(NC(O2)=O)(O)C(OC)/C=C/C=C(C)\CC3=CC(N(C)C(CC(OC(C(N(C(CCS)=O)[13C]([2H])([2H])[2H])C)=O)C4(C)C1O4)=O)=C(Cl)C(OC)=C3
Canonical 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
InchIKey ANZJBCHSOXCCRQ-FKUXLPTCSA-N
Inchl 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
IUPAC [(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
Controlled No
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