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Uldazepam

CAT: 0926-DBA54658-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-DBA54658-01Size:1 mg
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CAS Number
28546-58-9
MDL Number
MFCD00868014
Smiles
C=CCONC1=NC2=C (C=C (C=C2) Cl) C (=NC1) C3=CC=CC=C3Cl
Molecular Formula
C18H15Cl2N3O
Molecular Weight
360.2 g/mol
Controlled
Yes

Chemical Information

Uldazepam

Uldazepam is a benzodiazepine.

CAS Number28546-58-9
PubChem CID34274
IUPAC Name7-chloro-5-(2-chlorophenyl)-N-prop-2-enoxy-3H-1,4-benzodiazepin-2-amine
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.2
XLogP3.9
Topological Polar Surface Area46
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity508
SMILES
C=CCONC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H15Cl2N3O/c1-2-9-24-23-17-11-21-18(13-5-3-4-6-15(13)20)14-10-12(19)7-8-16(14)22-17/h2-8,10H,1,9,11H2,(H,22,23)
InChIKey
DTMPGSXFUXZBDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Uldazepam
CAS: 28546-58-9
CID: 34274
Formula: C18H15Cl2N3O
MW: 360.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.2
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass359.0592175
Monoisotopic Mass359.0592175
Topological Polar Surface Area46 Ų
Heavy Atom Count24
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes