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Home > Product > Heterocyclic Organic Compounds > Dichloromethotrexate

Dichloromethotrexate | CAS Number: 528-74-5

Catalog Number
ACM528745
Product Name
Dichloromethotrexate
Structure
CAS Number
528-74-5
IUPAC Name
(2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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)
Molecular Weight
523.335
Exact Mass
522.09300
Molecular Formula
C20H20Cl2N8O5
Density
1.637g/cm3
Purity
96%
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
InChIKey
MCEHFIXEKNKSRW-LBPRGKRZSA-N
H-Bond Donor
5
H-Bond Acceptor
12
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