Alprazolam Impurity 37

CAT: 1299-RM-A122637-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A122637-01Size:10 mg

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CAS Number

2147-79-7

Synonyms

3- (2-benzoyl-4-chlorophenyl) imidazolidin-4-one

Molecular Formula

C16H13ClN2O2

Molecular Weight

300.74

Target Alternative Name

Alprazolam

Chemical Information

Alprazolam Impurity 37

CAS Number	2147-79-7
PubChem CID	12870338
IUPAC Name	3-(2-benzoyl-4-chlorophenyl)imidazolidin-4-one
Molecular Formula	C16H13ClN2O2
Molecular Weight	300.74
XLogP	2.7
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	409

SMILES

C1C(=O)N(CN1)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O2/c17-12-6-7-14(19-10-18-9-15(19)20)13(8-12)16(21)11-4-2-1-3-5-11/h1-8,18H,9-10H2

InChIKey

HGHSAOFCCCVSOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2147-79-7

CID: 12870338

Formula: C16H13ClN2O2

MW: 300.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.74
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	300.0665554
Monoisotopic Mass	300.0665554
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A06040-01	Alprazolam Impurity 7
AR-A01772-01	Alprazolam EP Impurity A
AR-A06038-01	Alprazolam Impurity 6
AR-A06037-01	Alprazolam Impurity 4
AR-A01781-01	Alprazolam Impurity 5
AR-A06039-01	Alprazolam Impurity 3
CS-P-08428	Alprazolam Lactose Adduct Impurity
CS-T-72844	Alprazolam EP Impurity G
CS-T-12046	Alprazolam EP Impurity C
CS-EN-00038	Alprazolam EP Impurity H