Cyproheptadine Impurity 3

CAT: 1596-AR-C03863-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C03863-01Size:10 Units

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CAS Number

54191-03-6

Synonyms

4- (1aH-dibenzo[3,4:6,7]cyclohepta[1,2-b]oxiren-6 (10bH) -ylidene) piperidine

Molecular Formula

C20H19NO

Molecular Weight

289.38

API Name

Cyproheptadine

Chemical Information

Desmethylcyproheptadine 10,11-epoxide

metabolite of cyproheptadine; inhibits proinsulin & insulin biosynthesis & insulin release in isolated rat pancreatic islets

CAS Number	54191-03-6
PubChem CID	124167
IUPAC Name	4-(3-oxatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-ylidene)piperidine
Molecular Formula	C20H19NO
Molecular Weight	289.4
XLogP	2.4
Topological Polar Surface Area	24.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	432

SMILES

C1CNCCC1=C2C3=CC=CC=C3C4C(O4)C5=CC=CC=C52

InChI

InChI=1S/C20H19NO/c1-3-7-16-14(5-1)18(13-9-11-21-12-10-13)15-6-2-4-8-17(15)20-19(16)22-20/h1-8,19-21H,9-12H2

InChIKey

LQCXYBFJXNJNQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54191-03-6

CID: 124167

Formula: C20H19NO

MW: 289.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	289.146664230
Monoisotopic Mass	289.146664230
Topological Polar Surface Area	24.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C03858-01	Cyproheptadine Impurity 2
AR-C08810-01	Cyproheptadine Impurity 9
AR-C08806-01	Cyproheptadine Impurity 8
AR-C08809-01	Cyproheptadine Impurity 7
AR-C08807-01	Cyproheptadine Impurity 10
AR-C08808-01	Cyproheptadine Impurity 5
AR-C03855-01	Cyproheptadine EP Impurity B (Dibenzosuberenone)
AR-C04115-01	Cyproheptadine Hydrochloride
AR-C03860-01	Cyproheptadine-d3
AR-C03862-01	Cyproheptadine Related Compound A

Catalog	Name
RM-C161501-01	Cyproheptadine EP Impurity A
RM-C161529-01	Cyproheptadine Impurity 29
RM-C161528-01	Cyproheptadine Impurity 28
RM-C161530-01	Cyproheptadine Impurity 30
RM-C161527-01	Cyproheptadine EP Impurity B
RM-C161503-01	Cyproheptadine EP Impurity C
BA2923-5	Cyproheptadine