Retinoic Acid Impurity 1

CAT: 1299-RM-R562001-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R562001-01Size:10 mg

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CAS Number

53282-28-3

Synonyms

((2E,4E) -3-methyl-5- (2,6,6-trimethylcyclohex-1-en-1-yl) penta-2,4-dien-1-yl) triphenylphosphonium chloride

Molecular Formula

C33H38P Cl

Molecular Weight

465.64 35.45

Target Alternative Name

Retinoic Acid

Product Name Synonym

((2E,4E) -3-methyl-5- (2,6,6-trimethylcyclohex-1-en-1-yl) penta-2,4-dien-1-yl) triphenylphosphonium chloride

Chemical Information

(E,E)-(3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienyl)triphenylphosphonium chloride

CAS Number	53282-28-3
PubChem CID	6365507
IUPAC Name	[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl]-triphenylphosphanium chloride
Molecular Formula	C33H38ClP
Molecular Weight	501.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	687

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C.[Cl-]

InChI

InChI=1S/C33H38P.ClH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+;

InChIKey

CWNBBYCRJLETKC-IUKQBHTCSA-M

Chemical Structure

2D Structure

CAS: 53282-28-3

CID: 6365507

Formula: C33H38ClP

MW: 501.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	501.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	500.2399659
Monoisotopic Mass	500.2399659
Topological Polar Surface Area	0 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
AR-R01437-01	Tretinoin EP Impurity F (4-Methoxy Retinoic Acid)
AR-T05826-01	Tretinoin-d6 (Retinoic Acid-d6, Isotretinoin EP Impurity A-d6)
AR-R02069-01	Tretinoin EP Impurity G (all-trans 5,6-Epoxy Retinoic Acid)
AR-T05828-01	4-Oxo Tretinoin-d6 (4-Oxo Retinoic Acid-d6) and Isotretinoin EP Impurity H-d6 (4-Oxo-13-cis-Retinoic Acid-d6)
AR-T05827-01	Isotretinoin EP Impurity H-d6 (4-Oxo-13-cis-Retinoic Acid-d6)
T1051-01	Retinoic acid
HY-NP0245A	Retinoic acid-OVA
HY-14649S4-01	Retinoic acid-d5
TRC-C850030-100MG	Caged Retinoic Acid
C07957-1g	Retinoic acid (Tretinoin)

Retinoic Acid Impurity 1

Chemical Information

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