Cevipabulin Fumarate
(E)-but-2-enedioic acid;5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;dihydrate
Molecular Identity
Cevipabulin Fumarate
(E)-but-2-enedioic acid;5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;dihydrate
PubChem CID: 16088020
2D Structure
Properties
C22H26ClF5N6O7
Molecular Formula
616.90
Molecular Weight
g/mol
616.1472
Exact Mass
Da
153
TPSA
May have limited oral absorption
6
H-Bond Donors
17
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(=CC(=O)O)C(=O)O.O.OIsomeric SMILES
SMILES: C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(=C/C(=O)O)\C(=O)O.O.OSynonyms(20)
Cevipabulin fumarateCevipabulin fumarate [USAN]849550-69-2UNII-Q380BYV049Q380BYV049Cevipabulin fumarate dihydrateTTI-237TTI-237 FUMARATE DIHYDRATECevipabulin fumarate (USAN)(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, 5-chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-((1S)-2,2,2-trifluoro-1-methylethyl)-, (2E)-2-butenedioate (1:1), dihydrateCEVIPABULIN FUMARATE [WHO-DD][1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-, (2E)-2-butenedioate (1:1), dihydrate5-CHLORO-6-(2,6-DIFLUORO-4-(3-(METHYLAMINO)PROPOXY)PHENYL)-N-((1S)-2,2,2-TRIFLUORO-1-METHYLETHYL)-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-AMINE (2E)-BUT-2-ENEDIOATE (1:1) DIHYDRATE5-Chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (2E)-but-2-enedioate (1:1) dihydrateRefChem:124737
Data from PubChem (NCBI)
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