CAS No. 474645-27-7

 

Product Information

Chemical Formula: C39H67N5O7
Molecular Weight:717.98
Synonyms:Monomethyl Auristatin E; Mmae; Vedotin; Monomethyl Auristatin E(Mmae, Vedotin); Hm-297C-22; Monomethyl Auristatin E (Mmae); N-Methyl-L-Valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-Hydroxy-1-Methyl-2-Phenylethyl]Amino]-1-Methoxy-2-Methyl-3-Oxopropyl]-1-Pyrrolidinyl]-2-Methoxy-1-[(1S)-1-Methylpropyl]-4-Oxobutyl]-N-Methyl-L-Valinamide; N-Methyl-L-Valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-Hydroxy-1-Methyl-2-Phenylethyl]Amino]-1-Methoxy-2-Methyl-3-Oxopropyl]-1-Pyrrolidinyl]-2-Methoxy-1-[(1S)-1-Methylpropyl]-4-Oxobutyl]-N-Methyl-L-Valinamide Monomethyl
MDL No.:MFCD22124498
EINECS / EC No.:N/A
Pubchem CID:11542188
IUPAC Name:(2S)-N-[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
Standard InchI:InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1
InchI Key:DASWEROEPLKSEI-UIJRFTGLSA-N
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC
Appearance:-
Melting Point:N/A
Boiling Point:873.5±65.0 °C at 760 mmHg
Density (Theoretical):N/A

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