Primary record
Selatogrel
- CAS
- 1159500-34-1
- PubChem CID
- 59534142
- SMILES
- CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[C@@H](C4)OC
- Molecular Formula
- C28H39N6O8P
- Molecular Weight
- 618.628
- Exact Mass
- 618.2567
- 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
- InChIKey
- FYXHWMQPCJOJCH-GMAHTHKFSA-N
- LogP
- 1.7257
- TPSA
- 174.73
Names and synonyms
- Selatogrel
- selatogrelum
- Selatogrel [INN]
- ACT-246475
- 6DPK7O4PR7
- RefChem:182265
- UNII-6DPK7O4PR7
- 1159500-34-1
- orb1738116
- SCHEMBL2928412
- CHEMBL4297589
- SCHEMBL29521459
- GTPL14164
- FYXHWMQPCJOJCH-GMAHTHKFSA-N
- ACT246475
- EX-A10145
- DB15163
- compound 30d [PMID: 26550844]
- ((R)-3-(4-(butoxycarbonyl)piperazin-1-yl)-2-(6-((S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-3-oxopropyl)phosphonic acid
- HY-109122
- CS-0078350
- J3.559.357H
- H51477
- 1-Piperazinecarboxylic acid, 4-((2R)-2-(((6-((3S)-3-methoxy-1-pyrrolidinyl)-2-phenyl-4-pyrimidinyl)carbonyl)amino)-1-oxo-3-phosphonopropyl)-, 1-butyl ester
- 4-((R)-2-((6-((S)-3-Methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic acid butyl ester
- ((2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-((6-((3S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-oxopropyl)phosphonic acid
- [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]phosphonic acid
- ((2R)-3-(4-(butoxycarbonyl)piperazin-1-yl)-2-((6-((3S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidin-4-yl)formamido)-3-oxopropyl)phosphonic acid
- ((R)-3-(4-(butoxycarbonyl)piperazin-1-yl)-2-(6-((S)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamido)-3-oxopropyl)phosphonic acid; 1-Butyl 4-[(2R)-2-[[[6-[(3S)-3-methoxy-1-pyrrolidinyl]-2-phenyl-4-pyrimidinyl]carbonyl]amino]-1-oxo-3-phosphonopropyl]-1-piperazinecarboxylate (ACI)
- [(2R)-3-[4-(butoxycarbonyl)piperazin-1-yl]-2-({6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidin-4-yl}formamido)-3-oxopropyl]phosphonic acid