Idrevloride
3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[hexyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
Molecular Identity
Idrevloride
3,5-diamino-6-chloro-N-[N'-[4-[4-[2-[hexyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
PubChem CID: 71502876
2D Structure
Properties
C30H49ClN8O7
Molecular Formula
669.20
Molecular Weight
g/mol
668.3413
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
259
TPSA
May have limited oral absorption
9
H-Bond Donors
13
H-Bond Acceptors
873
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCN(CCOC1=CC=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)CC(C(C(C(CO)O)O)O)OIsomeric SMILES
SMILES: CCCCCCN(CCOC1=CC=C(C=C1)CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OSynonyms(20)
Idrevloride1416973-63-1Idrevloride [INN]Idrevloride [USAN]NY2J56S3YAVX-371GS-5737VRT-1499138GS-560876P-1037Idrevloride (USAN)3,5-Diamino-6-chloro-N-(N-(4-(4-(2-(hexyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxylhexyl)amino)ethoxy)phenyl)butyl)-carbamimidoyl)pyrazine-2-carboxamideD-Glucitol, 1-deoxy-1-((2-(4-(4-(((((3,5-diamino-6-chloro-2-pyrazinyl)carbonyl)amino)iminomethyl)amino)butyl)phenoxy)ethyl)hexylamino)-3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL((2S,3R,4R,5R)-2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)-CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDERefChem:147710
Data from PubChem (NCBI)
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