13-cis-Acitretin-d3

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CAS Number

1185241-03-5

Synonyms

(2Z,4E,6E,8E) -9- (4-methoxy-2,3,6-trimethylphenyl) -3,7-dimethylnona-2,4,6,8-tetraenoic acid-D3;9- (4-Methoxy-d3-2,3,6-trimethylphenyl) -3,7-dimethyl-2,4,6,8-nonatetraenoic Acid, 13-cis-Etretin-d3, Isoacitretin-d3, Isoetretin-d3, Ro 13-7652-d3

Molecular Formula

C21H23O3D3

Molecular Weight

329.46

API Name

Acitretin

Chemical Information

Acitretin-d3

CAS Number	1185241-03-5
PubChem CID	46780078
IUPAC Name	(2E,4E,6E,8E)-3,7-dimethyl-9-[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]nona-2,4,6,8-tetraenoic acid
Molecular Formula	C21H26O3
Molecular Weight	329.4
XLogP	6.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	539

SMILES

[2H]C([2H])([2H])OC1=C(C(=C(C(=C1)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C

InChI

InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12+/i6D3

InChIKey

IHUNBGSDBOWDMA-FDNRGZQGSA-N

Chemical Structure

2D Structure

CAS: 1185241-03-5

CID: 46780078

Formula: C21H26O3

MW: 329.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	329.4
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	329.20702492
Monoisotopic Mass	329.20702492
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	539
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-A01258-01	13-cis-Acitretin
AR-A01259-01	13-cis-Acitretin Glucuronide
AR-A01256-01	Acitretin-d3
AR-A01260-01	9-cis-Acitretin
AR-R01444-01	9,13-Di-cis-Retinoic Acid-13C-d3
AR-A01255-01	Acitretin
AR-C01279-01	Cis-Capsaicin-d3
AR-D01780-01	Cis-Diethylstilbestrol-d3
AR-R01456-01	13-cis Retinol
AR-A07230-01	13-cis-Astaxanthin

Alternative Products

Catalog	Name
T19088-01	13-cis Acitretin D3
TRC-A189927-1MG	13-cis Acitretin-d3
TRC-A189925-1MG	13-cis Acitretin
A0601-02	13-cis-Acitretin
sc-480664	13-cis Acitretin-d3 O-β-D-Glucuronide
sc-480662	11-cis-Acitretin-d3
RM-A033016-01	13-Cis-Acitretin Glucuronide
sc-480663	13-cis Acitretin O-β-D-Glucuronide
RM-A033013-01	Acitretin-D3
sc-210705	9-cis Acitretin

13-cis-Acitretin-d3

Chemical Information

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