Iloperidone Impurity 2

CAT: 1596-AR-I01261-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I01261-02Size:25 Units

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CAS Number

1309041-89-1

Synonyms

3- (4-acetyl-2-methoxyphenoxy) propyl4-methylbenzenesulfonate

Molecular Formula

C19H22O6S

Molecular Weight

378.45

API Name

Iloperidone

Chemical Information

3-(4-Acetyl-2-methoxyphenoxy)propyl 4-methylbenzenesulfonate

CAS Number	1309041-89-1
PubChem CID	117983843
IUPAC Name	3-(4-acetyl-2-methoxyphenoxy)propyl 4-methylbenzenesulfonate
Molecular Formula	C19H22O6S
Molecular Weight	378.4
XLogP	3.2
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	26
Formal Charge	0
Complexity	533

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2=C(C=C(C=C2)C(=O)C)OC

InChI

InChI=1S/C19H22O6S/c1-14-5-8-17(9-6-14)26(21,22)25-12-4-11-24-18-10-7-16(15(2)20)13-19(18)23-3/h5-10,13H,4,11-12H2,1-3H3

InChIKey

IJJIUQGPCMDQEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1309041-89-1

CID: 117983843

Formula: C19H22O6S

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	378.11370959
Monoisotopic Mass	378.11370959
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	533
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-I03314-01	Iloperidone Impurity 28
AR-I01278-01	Iloperidone Impurity 18
AR-I01260-01	Iloperidone Hydroxypropoxy Impurity
AR-I01266-01	Iloperidone Impurity 5
AR-I04333-01	Iloperidone Desethanone Impurity
AR-I01276-01	Iloperidone Impurity 15
AR-I03313-01	Iloperidone Bromopropoxy Impurity
AR-I01283-01	Iloperidone Impurity 23
AR-I01274-01	Iloperidone Impurity 13
AR-I01277-01	Iloperidone Impurity 17

Catalog	Name
RM-I121609-01	Iloperidone Impurity 9
RM-I121605-01	Iloperidone Impurity 5
sc-499488	Desfluoro iloperidone impurity
163670	Desfluoro Iloperidone (Impurity)
TRC-I267220-25MG	Iloperidone Dimer Impurity
RM-I121610-01	Iloperidone Impurity 10
RM-I121601-01	Iloperidone Impurity 1
RM-I121608-01	Iloperidone Impurity 8
RM-I121607-01	Iloperidone Impurity 7
RM-I121606-01	Iloperidone Impurity 6