Clomiphene N-Oxide

CAT: 0572-TRC-C587040-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C587040-10MGSize:10 mg

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CAS Number

97642-74-5

Hazard Statement

Suspected of causing genetic defects

Purity

>95% (HPLC)

Smiles

CC[N+]([O-])(CC)CCOc1ccc(cc1)\C(=C(\Cl)/c2ccccc2)\c3ccccc3

Molecular Formula

C26 H28 Cl N O2

Molecular Weight

421.96

InChI

InChI=1S/C26H28ClNO2/c1-3-28(29,4-2)19-20-30-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+

Additionnal Information

IUPAC name: 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine oxide

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Clomifenoxide

CAS Number	97642-74-5
PubChem CID	3037789
IUPAC Name	2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine oxide
Molecular Formula	C26H28ClNO2
Molecular Weight	422.0
XLogP	6.7
Topological Polar Surface Area	27.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	525

SMILES

CC[N+](CC)(CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3)[O-]

InChI

InChI=1S/C26H28ClNO2/c1-3-28(29,4-2)19-20-30-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25-

InChIKey

PGHWCZITRQNIPM-QPLCGJKRSA-N

Chemical Structure

2D Structure

CAS: 97642-74-5

CID: 3037789

Formula: C26H28ClNO2

MW: 422.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.0
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	421.1808568
Monoisotopic Mass	421.1808568
Topological Polar Surface Area	27.3 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
163164	Clomiphene N-Oxide
AR-C03194-01	Clomiphene-N-Oxide
WDC60655-01	Clomiphene-d5 N-oxide
AR-C09080-01	E-Clomiphene N-oxide
CS-O-44000	Clomiphene-N-Oxide tricarboxylic acid
AR-C05450-01	N-Nitroso Clomiphene
sc-500012	N-Desethyl-E-clomiphene hydrochloride
165394	N-Desethyl-E-Clomiphene Hydrochloride Salt
AR-C03199-01	N-Desethyl Clomiphene HCl (Mixture of Z and E Isomers)
458759-01	N-Desethyl 2-Chloro Clomiphene (cis-trans Mixture) Hydrochloride

Clomiphene N-Oxide

Chemical Information

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