Remimazolam
methyl 3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate
Molecular Identity
Remimazolam
methyl 3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate
PubChem CID: 9867812
2D Structure
Properties
C21H19BrN4O2
Molecular Formula
439.30
Molecular Weight
g/mol
438.0691
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
69.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
601
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)OC)C4=CC=CC=N4Isomeric SMILES
SMILES: CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=N[C@H]2CCC(=O)OC)C4=CC=CC=N4Synonyms(20)
Remimazolam308242-62-8CNS 7056CNS-7056ONO-27457V4A8U16MBONO27454H-Imidazo(1,2-a)(1,4)benzodiazepine-4-propanoic acid, 8-bromo-1-methyl-6-(2-pyridinyl)-, methyl ester, (4S)-CNS7056remimazolamumRefChem:57866N05CD14methyl 3-((7S)-12-bromo-3-methyl-9-(pyridin-2-yl)-2,5,8-triazatricyclo(8.4.0.0^(2,6))tetradeca-1(14),3,5,8,10,12-hexaen-7-yl)propanoatemethyl 3-((4S)-8-bromo-2-methyl-6-pyridin-2-yl-4H-imidazo(1,2-a)(1,4)benzodiazepin-4-yl)propanoateByfavo (TN)
Data from PubChem (NCBI)
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