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Viaminate

CAT: 0013-GTR19238560-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19238560-03Size:1 g
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Description
Viaminate, a synthetic retinoid, is indicated for severe acne and keratinization disorders. It serves as a valuable research tool for studying retinoid biology, with applications in both in vitro assays and in vivo models of dermatological diseases.
CAS Number
53839-71-7
Field of Research
Metabolism Research
Smiles
C (=C/C (=C/C=C/C (=C/C (NC1=CC=C (C (OCC) =O) C=C1) =O) /C) /C) \C=2C (C) (C) CCCC2C
Molecular Formula
C29H37NO3
Molecular Weight
447.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Viaminate

structure in first source

CAS Number53839-71-7
PubChem CID6438483
IUPAC Nameethyl 4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
Molecular FormulaC29H37NO3
Molecular Weight447.6
XLogP7.8
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity846
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C
InChI
InChI=1S/C29H37NO3/c1-7-33-28(32)24-14-16-25(17-15-24)30-27(31)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-29(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,30,31)/b11-8+,18-13+,21-10+,22-20+
InChIKey
VRSMJNVXOITYPE-FSDIUQKZSA-N
Chemical Structure
2D Structure
2D structure of Viaminate
CAS: 53839-71-7
CID: 6438483
Formula: C29H37NO3
MW: 447.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.6
XLogP37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass447.27734404
Monoisotopic Mass447.27734404
Topological Polar Surface Area55.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity846
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

Alternative Products

CatalogName
AR-V06539-01Viaminate
HY-112077ARViaminate (Standard)
HY-112077-01(Z) -Viaminate
AR-V06540-01Viaminate Impurity 1

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