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4-Hydroxy midazolam

CAT: 0926-FH24051-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24051-02Size:2 mg
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CAS Number
59468-85-8
Synonyms
8-Chloro-6- (2-fluorophenyl) -1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
MDL Number
MFCD00871459
Smiles
CC1=NC=C2N1C3=C (C=C (C=C3) Cl) C (=NC2O) C4=CC=CC=C4F
Molecular Formula
C18H13ClFN3O
Molecular Weight
341.77 g/mol
Controlled
Yes

Chemical Information

4-Hydroxymidazolam

4-hydroxymidazolam is an imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is an imidazobenzodiazepine, an organic hydroxy compound, an organochlorine compound and a member of monofluorobenzenes. It is functionally related to a midazolam.

CAS Number59468-85-8
PubChem CID124449
IUPAC Name8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
Molecular FormulaC18H13ClFN3O
Molecular Weight341.8
XLogP3.4
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity505
SMILES
CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4F
InChI
InChI=1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3
InChIKey
ZYISITHKPKHPKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxymidazolam
CAS: 59468-85-8
CID: 124449
Formula: C18H13ClFN3O
MW: 341.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass341.0731179
Monoisotopic Mass341.0731179
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H948425-5MG4-Hydroxy Midazolam
432569-014-Hydroxy Midazolam discontinued
CS-T-1023584-Hydroxy Midazolam-d5 Methanoate
HY-W740139-014-Hydroxy midazolam methanoate-d5
CS-T-304651-Hydroxy Midazolam
TRC-H948420-5MG1’-Hydroxy Midazolam
432574-014-Hydroxy Midazolam-d5 Methanoate discontinued
CS-T-1023541'-Hydroxy Midazolam-13C3
TRC-H948422-0.5MG1’-Hydroxy Midazolam-13C3
TRC-H948423-10MG1’-Hydroxy Midazolam-d5

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