Name: Name:7-CYANOMETHOTREXATE DIMETHYL ESTER
Brand: Angene
SKU: AG008VQS
Rating: 90 (10 reviews)

7-CYANOMETHOTREXATE DIMETHYL ESTER

CAS No.:

112163-39-0

Catalog Number:

AG008VQS

Molecular Formula:

Molecular Weight:

Catalog Number:

AG008VQS

Chemical Name:

7-CYANOMETHOTREXATE DIMETHYL ESTER

CAS Number:

112163-39-0

MDL Number:

MFCD09840284

IUPAC Name:

dimethyl 2-[[4-[(2,4-diamino-7-cyanopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

InChI:

InChI=1S/C23H25N9O5/c1-32(11-16-15(10-24)28-20-18(27-16)19(25)30-23(26)31-20)13-6-4-12(5-7-13)21(34)29-14(22(35)37-3)8-9-17(33)36-2/h4-7,14H,8-9,11H2,1-3H3,(H,29,34)(H4,25,26,28,30,31)

InChI Key:

IELAPFQSSXNBBQ-UHFFFAOYSA-N

Complexity:

859

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

507.198g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

507.511g/mol

Monoisotopic Mass:

507.198g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

212A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3