CAS 59467-69-5

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

Virtual Booth

Contact Supplier

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 4 Related Intermediates

1 Suppliers
1 End Use APIs
4 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 59467-69-5, 8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3h-benzo[f]imidazo[1,5-a][1,4]diazepine, Wp58xdp3tt, 8-chloro-3a,4-dihydro-6-(2-fluorophenyl)-1-methyl-3h-imidazo[1,5-a][1,4]benzo-diazepine, 3h-imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-, 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3h-imidazo(1,5-a)(1,4)benzodiazepine

Molecular Formula

C₁₈H₁₅ClFN₃

Molecular Weight

327.8 g/mol

InChI Key

UUGUSEWJNOCDEF-UHFFFAOYSA-N

FDA UNII

WP58XDP3TT

1 2D Structure

CAS 59467-69-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-imidazo[1,5-a][1,4]benzodiazepine

2.1.2 InChI

InChI=1S/C18H15ClFN3/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/h2-8,13H,9-10H2,1H3

2.1.3 InChI Key

UUGUSEWJNOCDEF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NCC2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F

2.2 Other Identifiers

2.2.1 UNII

WP58XDP3TT

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 59467-69-5

2. 8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3h-benzo[f]imidazo[1,5-a][1,4]diazepine

3. Wp58xdp3tt

4. 8-chloro-3a,4-dihydro-6-(2-fluorophenyl)-1-methyl-3h-imidazo[1,5-a][1,4]benzo-diazepine

5. 3h-imidazo(1,5-a)(1,4)benzodiazepine, 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-

6. 8-chloro-6-(2-fluorophenyl)-3a,4-dihydro-1-methyl-3h-imidazo(1,5-a)(1,4)benzodiazepine

7. (3ars)-8-chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3h-imidazo[1,5-a][1,4]benzodiazepine

8. Reduced Midazolam

9. Unii-wp58xdp3tt

10. Midazolam Impurity I [ep]

11. Schembl2969718

12. Dtxsid60452329

13. Bcp24692

14. Akos015896554

15. Midazolam Impurity I [ep Impurity]

16. Db-072643

17. Ft-0726224

18. (z)-n-(1-(dimethylamino)prop-1-en-2-yl)acetamide

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₅ClFN₃
Molecular Weight	327.8 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	327.0938533 g/mol
Monoisotopic Mass	327.0938533 g/mol
Topological Polar Surface Area	28 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1