Bromochloromethotrexate

Molecular Formula: C₂₀H₂₀BrClN₈O₅

InChI: InChI=1/C20H20BrClN8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1/f/h27,31,34H,23-24H2

InChIKey: InChIKey=AKDWTVCYSZSYQZ-BCAARTKMDY
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Names:
    Bromochloromethotrexate
    Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, L-
    L-Glutamic acid, N-(3-bromo-5-chloro-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)- (9CI)
    NSC 98579
    NSC-98579
    (2S)-2-[[3-bromo-5-chloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
    3'-Bromo-5'-chloromethotrexate
    6914-12-1

Registries:
    PubChem CID 72439
    PubChem ID 214706