((R)-3-(4-(butoxycarbonyl)piperazin-1-yl)-2-(6-((S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-3-oxopropyl)phosphonic acid
Product Code
TRC-B122950-10MG
CAS Number
Product Format
Neat
Molecular Formula
C28 H39 N6 O8 P
Molecular Weight
618.618
Product Categories
Price and availability
Product Information
Product Data
Analyte Name
Selatogrel
CAS Number
1159500-34-1
Molecular Formula
C28 H39 N6 O8 P
Molecular Weight
618.618
Accurate Mass
618.257
SMILES
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(nc(n2)c3ccccc3)N4CC[C@@H](C4)OC
InChI
InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1
IUPAC
[(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]phosphonic acid
Storage & Transport Information
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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