10-PROPARGYL-10-DEAZAAMINOPTERIN

CAS No.
146464-95-1
CCD No.
CCD00180073
Formula
C23 H23 N7 O5
MolWeight
477.479

Basic Information

Product Name: 10-PROPARGYL-10-DEAZAAMINOPTERIN
CAS: 146464-95-1
English Synonyms: FOLOTYN ; 10-PROPARGYL-10-DEAZAAMINOPTERIN ; N-(4-(1-((2,4-DIAMINO-6-PTERIDINYL)METHYL)-3-BUTYNYL)BENZOYL)-L-GLUTAMIC ACID ; PRALATREXATE
MDL Number.: MFCD00920897
H bond acceptor: 12
H bond donor: 5
Smile: C#CCC(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChi: InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
InChiKey: InChIKey=OGSBUKJUDHAQEA-WMCAAGNKSA-N

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