Basic information
- CAS
61197-93-1- Standard SMILES
CN1CCN(/C=C2/N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1.CS(=O)(=O)O- InChIKey
DDSDPQHQLNAGLJ-YEBWQKSTSA-N- Molecular formula
- C24H25ClN6O6S
- Average molar mass
- 561 g/mol
- Monoisotopic mass
- 560.1244814
Names & identifiers
- Preferred name
- 1H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 6-(2-chlorophenyl)-2,4-dihydro-2-((4-methyl-1-piperazinyl)methylene)-8-nitro-, methanesulphonate
- IUPAC
- (2E)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one;methanesulfonic acid
- English name
- LOPRAZOLAM
- Molecular formula
- C24H25ClN6O6S
- Molecular weight
- 561.01
Names & synonyms
61197-93-11H-Imidazo(1,2-a)(1,4)benzodiazepin-1-one, 6-(2-chlorophenyl)-2,4-dihydro-2-((4-methyl-1-piperazinyl)methylene)-8-nitro-, methanesulphonateRefChem:1057901SCHEMBL1649833LoprazolamUTEFBSAVJNEPTR-XMHGGMMESA-N
Database identifiers
- CAS
61197-93-1- PubChem CID
- 3036679
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 984
Physicochemical properties
- FDA UNII
- 759 N8462G8 · 759N8462G8
- ATC code
- 5 CD11 · N05CD11
- DEA Controlled Substances
- 2773 CAS · CSCN: 2773CAS SCH: IVNARC: N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- DEA Controlled Substances
- CSCN: 2773CAS SCH: IVNARC: N
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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