Catalog No.:AA0063K1

67739-71-3 | 1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

Name: Name:1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
Brand: AABLOCKS
SKU: AA0063K1
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA0063K1

Chemical Name:

1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

CAS Number:

67739-71-3

Molecular Formula:

C16H12FN3O4

Molecular Weight:

329.2826

MDL Number:

MFCD01762346

SMILES:

OC1N=C(c2c(N(C1=O)C)ccc(c2)[N+](=O)[O-])c1ccccc1F

Properties

Computed Properties

Complexity:

550

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title: The role of cytochrome P450 2C19 activity in flunitrazepam metabolism in vivo.

Journal: Journal of clinical psychopharmacology 20030401

Title: Flunitrazepam metabolism by cytochrome P450S 2C19 and 3A4.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20010401

Title: CYP3A4 is the major CYP isoform mediating the in vitro hydroxylation and demethylation of flunitrazepam.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20010201

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Tags:67739-71-3 Molecular Formula|67739-71-3 MDL|67739-71-3 SMILES|67739-71-3 1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

Catalog No.: AA0063K1

67739-71-3 | 1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA0063K1

Chemical Name: 1,3-Dihydro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one

CAS Number: 67739-71-3

Molecular Formula: C16H12FN3O4

Molecular Weight: 329.2826

MDL Number: MFCD01762346

SMILES: OC1N=C(c2c(N(C1=O)C)ccc(c2)[N+](=O)[O-])c1ccccc1F