Atovaquone EP Impurity D

CAT: 1299-RM-A201504-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A201504-01Size:10 mg

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CAS Number

129700-41-0

Synonyms

2- ((1r,4r) -4- (4-chlorophenyl) cyclohexyl) -3-methoxynaphthalene-1,4-dione

Molecular Formula

C23H21ClO3

Molecular Weight

380.86

Target Alternative Name

Atovaquone

Product Name Synonym

2- ((1r,4r) -4- (4-chlorophenyl) cyclohexyl) -3-methoxynaphthalene-1,4-dione

Chemical Information

O-Methyl Atovaquone

CAS Number	129700-41-0
PubChem CID	19373434
IUPAC Name	2-[4-(4-chlorophenyl)cyclohexyl]-3-methoxynaphthalene-1,4-dione
Molecular Formula	C23H21ClO3
Molecular Weight	380.9
XLogP	6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	609

SMILES

COC1=C(C(=O)C2=CC=CC=C2C1=O)C3CCC(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClO3/c1-27-23-20(21(25)18-4-2-3-5-19(18)22(23)26)16-8-6-14(7-9-16)15-10-12-17(24)13-11-15/h2-5,10-14,16H,6-9H2,1H3

InChIKey

LHZIOFDLSVYSFT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129700-41-0

CID: 19373434

Formula: C23H21ClO3

MW: 380.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.9
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	380.1179222
Monoisotopic Mass	380.1179222
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	609
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
RM-A201501-01	Atovaquone EP Impurity A
RM-A201502-01	Atovaquone EP Impurity B
RM-A201503-01	Atovaquone EP Impurity C
RM-A201505-01	Atovaquone Impurity 5
RM-A201506-01	Atovaquone Impurity 6
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole EP Impurity D
RM-C201214-01	Citalopram EP Impurity D; Escitalopram EP Impurity D
RM-L010306-01	Topiramate EP Impurity E; Lactulose EP Impurity D; Glucose EP Impurity D

Catalog	Name
162701	(±) -Atovaquone Impurity C
AR-A02870-01	Atovaquone EP Impurity C (Didehydro Atovaquone)
TRC-A793505-25MG	(±)-Atovaquone Impurity C
AR-A02869-01	Atovaquone EP Impurity A
TRC-A793507-75MG	(±)-Atovaquone Impurity C-d5
AR-A02872-01	Atovaquone EP Impurity B
AR-A02874-01	Cis-Atovaquone-d4 (Atovaquone EP Impurity B-d4)
162702	(±) -Atovaquone Impurity C-d5
AR-A02871-01	Atovaquone EP Impurity D
T1491-01	Atovaquone