Flumazenil EP Impurity E

CAT: 1596-AR-F01658-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F01658-02Size:25 Units

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CAS Number

78756-03-3

Synonyms

Ethyl 5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate

Molecular Formula

C15H15N3O3

Molecular Weight

285.3

API Name

Flumazenil

Chemical Information

Ro 14-7437

benzodiazepine antag; no other info available 8/16/83

CAS Number	78756-03-3
PubChem CID	127597
IUPAC Name	ethyl 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Formula	C15H15N3O3
Molecular Weight	285.30
XLogP	0.9
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	428

SMILES

CCOC(=O)C1=C2CN(C(=O)C3=CC=CC=C3N2C=N1)C

InChI

InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3

InChIKey

HNGRWUCKESPKRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 78756-03-3

CID: 127597

Formula: C15H15N3O3

MW: 285.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.30
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	285.11134135
Monoisotopic Mass	285.11134135
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes