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9-cis Retinol Acetate

CAT: 1596-AR-R01452-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R01452-01Size:10 Units
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CAS Number
29584-22-3
Synonyms
(2E,4E,6Z,8E) -3,7-dimethyl-9- (2,6,6-trimethylcyclohex-1-en-1-yl) nona-2,4,6,8-tetraen-1-yl acetate; 9-cis-Retinyl Acetate; 9-cis-Vitamin A Acetate; 9-cis-Vitamin A1 Acetate
Molecular Formula
C22H32O2
Molecular Weight
328.5
API Name
Retinol

Chemical Information

Zuretinol Acetate

Zuretinol acetate has been used in trials studying the treatment of Impaired Dark Adaptation, RP (Retinitis Pigmentosa), Retinitis Pigmentosa (RP), and LCA (Leber Congenital Amaurosis).

CAS Number29584-22-3
PubChem CID10245972
IUPAC Name[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity595
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\COC(=O)C)\C)/C
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+
InChIKey
QGNJRVVDBSJHIZ-AQDFTDIISA-N
Chemical Structure
2D Structure
2D structure of Zuretinol Acetate
CAS: 29584-22-3
CID: 10245972
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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