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API & reference standards

Midazolam Hydrochloride CIV

Midazolam Hydrochloride CIV is listed in the API and reference-standard collection. Its represented structure has formula C18H14Cl2FN3 and a calculated molecular weight of 362.24 g/mol.

2D chemical structure

N N C l F N H C l

Chemical identity

Catalog name
Midazolam Hydrochloride CIV
Common name
Midazolam Hydrochloride CIV
Chemical name
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;hydrochloride
CAS
Not available
SMILES
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cl
InChI
InChI=1S/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H
InChIKey
PLYSCVSCYOQVRP-UHFFFAOYSA-N

Record ID: A417622ded895

Computed properties

C18H14Cl2FN3 Molecular formula
362.235 g/molMolecular weight
361.0549 DaMonoisotopic exact mass
30.18 ŲTopological polar surface area
4.746 Calculated LogP (Wildman–Crippen)
96.302 cm³/molMolar refractivity (Wildman–Crippen)
2 countHydrogen-bond acceptors
0 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD. The SMILES contains 2 disconnected components. Calculations retain all represented components.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 2 4 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C Cl F H N 0 4 8 12 16 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight362.23560.90
Calculated LogP (Wildman–Crippen)4.74687.39
Topological polar surface area30.1813.95
Hydrogen-bond acceptors215.92
Hydrogen-bond donors011.28
Rotatable bonds (strict)112.12

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC18H14Cl2FN3dimensionless
Molecular weight362.235g/mol
Monoisotopic exact mass361.0549Da
Topological polar surface area30.18Ų
Calculated LogP (Wildman–Crippen)4.746dimensionless
Molar refractivity (Wildman–Crippen)96.302cm³/mol
Hydrogen-bond acceptors2count
Hydrogen-bond donors0count
Rotatable bonds (strict)1count
Heavy atoms24count
Heteroatoms6count
Rings4count
Aromatic rings3count
Aliphatic rings1count
Saturated rings0count
Aromatic heterocycles1count
Aliphatic heterocycles1count
Saturated heterocycles0count
Aromatic carbocycles2count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.1111fraction
Formal charge0e
Disconnected components2count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area149.7906Ų
Valence electrons122count
Radical electrons0count
Bertz complexity947.187index
Balaban J0index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Midazolam Hydrochloride CIV

PDE, HBEL and impurity assessment for Midazolam Hydrochloride CIV

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For pharmaceutical development, explore prediction of degradation products of Midazolam Hydrochloride CIV and qualification of impurities related to Midazolam Hydrochloride CIV.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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