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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

CAS 59467-69-5
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 Weight 327.8 g/mol
Molecular Formula C18H15ClFN3
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass327.0938533 g/mol
Monoisotopic Mass327.0938533 g/mol
Topological Polar Surface Area28 Ų
Heavy Atom Count23
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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