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1’-Hydroxy Midazolam-13C6

CAT: 0572-TRC-H948424-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H948424-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261396-36-4
Synonyms
1'-Hydroxy Midazolam-13C6; 8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol-6a,7,8,9,10,10a-13C6; 1-Hydroxymidazolam-13C6; 1'-Hydroxymidazolam-6a,7,8,9,10,10a-13C6; α-Hydroxymidazolam-13C6; alpha-Hydroxymidazolam-13C6; α-Hydroxymidazolam-6a,7,8,9,10,10a-1
Hazard Statement
No Data Available
Smiles
OCc1ncc2CN=C([13c]3[13cH][13c](Cl)[13cH][13cH][13c]3n12)c4ccccc4F
Molecular Formula
13C6 C12 H13 Cl F N3 O
Molecular Weight
347.723
InChI
InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2/i5+1,6+1,7+1,11+1,14+1,16+1
Additionnal Information
IUPAC name: [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol
Shipping Conditions
Room Temperature

Chemical Information

1'-Hydroxymidazolam-13C6
CAS Number1261396-36-4
PubChem CID49849389
IUPAC Name[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol
Molecular FormulaC18H13ClFN3O
Molecular Weight347.72
XLogP2.7
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity491
SMILES
C1C2=CN=C(N2[13C]3=[13C]([13CH]=[13C]([13CH]=[13CH]3)Cl)C(=N1)C4=CC=CC=C4F)CO
InChI
InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2/i5+1,6+1,7+1,11+1,14+1,16+1
InChIKey
QHSMEGADRFZVNE-GLCRKPPFSA-N
Chemical Structure
2D Structure
2D structure of 1'-Hydroxymidazolam-13C6
CAS: 1261396-36-4
CID: 49849389
Formula: C18H13ClFN3O
MW: 347.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.72
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass347.0932469
Monoisotopic Mass347.0932469
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity491
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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CS-T-304651-Hydroxy Midazolam
FH24050-011'-Hydroxy midazolam
CS-T-1023541'-Hydroxy Midazolam-13C3
CS-O-143061-Hydroxy Midazolam-d4
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CS-O-060654-Hydroxy Midazolam
411552-011’-Hydroxy Midazolam-d5 discontinued
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