Lorazepam acetate

C17H12Cl2N2O3 — CID 17836

IUPAC[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
SMILESCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
InChIKeyCYDZMDOLVUBPNL-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.00
Rot. Bonds3

About Lorazepam acetate

Lorazepam acetate (PubChem CID 17836) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is [7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate.

Molecular Properties

Compound NameLorazepam acetate
PubChem CID17836
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
SMILESCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl
InChIInChI=1S/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)
InChIKeyCYDZMDOLVUBPNL-UHFFFAOYSA-N
XLogP3.00
TPSA67.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity540

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nordiazepam
CID 2997
Oxazepam
CID 4616
Lorazepam
CID 3958
Delorazepam
CID 17925
Lormetazepam
CID 13314
Temazepam
CID 5391
Ethyl Loflazepate
CID 3299
Camazepam
CID 37367
Chlorodiazepam
CID 76168
(+-)-Oxazepam acetate
CID 102697
7-chloro-3-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 38237
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
CID 630731

Frequently Asked Questions

What is the IUPAC name of Lorazepam acetate?
The IUPAC name of Lorazepam acetate (CID 17836) is [7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate.
What is the SMILES notation for Lorazepam acetate?
The canonical SMILES for Lorazepam acetate is CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl.
What is the InChIKey of Lorazepam acetate?
The InChIKey is CYDZMDOLVUBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23).
What are the key properties of Lorazepam acetate?
Lorazepam acetate has a molecular weight of 363.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Lorazepam acetate is sourced from PubChem (CID 17836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).