Dichloromethotrexate

Catalog Number

ACM528745

Product Name

Dichloromethotrexate

Structure

CAS

528-74-5

Category

Heterocyclic Organic Compound

Synonyms

Dichloroamethopterin, DICHLOROMETHOTREXATE, Methotrexate, dichloro-, 3,5-Dichloroamethopterin, 3,5-Dichloromethotrexate, 3,5-Dichloromethotrexate, CCRIS 4602, Amethopterin, 3,5-dichloro-, C20H20Cl2N8O5, NCI-C04875, NSC 29630, NSC-29630, AIDS006949, AIDS-006949, CID10713, NSC29630, BRN 0073523, LS-1324, 3988-B-129-4, 4-26-00-03834 (Beilstein Handbook Reference)

IUPAC Name

(2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Molecular Weight

523.335

Molecular Formula

C₂₀H₂₀Cl₂N₈O₅

Canonical SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl

InChI Key

MCEHFIXEKNKSRW-LBPRGKRZSA-N

Density

1.637g/cm³

Exact Mass

522.09300

H-Bond Acceptor

12

H-Bond Donor

5

MSDS

COA

Spec Sheet