Nazwa analitu

Methotrexate Tetraglutamate Pendasodium Salt

Wzór cząsteczkowy

C35 H38 N11 Na5 O14

Masa cząsteczkowa

951.69037

Dokładna masa

951.2088

SMILES

NC1=NC(N)=NC2=C1N=C(CN(C3=CC=C(C=C3)C(N[C@H](C(O[Na])=O)CCC(N[C@H](C(O[Na])=O)CCC(N[C@H](C(O[Na])=O)CCC(N[C@H](C(O[Na])=O)CCC(O[Na])=O)=O)=O)=O)=O)C)C=N2

InChI

InChI=1S/C35H43N11O14.5Na/c1-46(15-17-14-38-29-27(39-17)28(36)44-35(37)45-29)18-4-2-16(3-5-18)30(52)43-22(34(59)60)8-12-25(49)41-20(32(55)56)6-10-23(47)40-19(31(53)54)7-11-24(48)42-21(33(57)58)9-13-26(50)51;;;;;/h2-5,14,19-22H,6-13,15H2,1H3,(H,40,47)(H,41,49)(H,42,48)(H,43,52)(H,50,51)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H4,36,37,38,44,45);;;;;/q;5*+1/p-5/t19-,20-,21-,22-;;;;;/m0...../s1

IUPAC

[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-5-[[(1S)-4-oxo-4-[[(1S)-4-oxo-4-[[(1S)-4-oxo-4-sodiooxy-1-sodiooxycarbonyl-butyl]amino]-1-sodiooxycarbonyl-butyl]amino]-1-sodiooxycarbonyl-butyl]amino]pentanoyl]oxysodium

Kraj pochodzenia

CANADA

Rodzaj produktu

Bioactive Small Molecule

Postać produktu

Neat