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Chemical structure of 13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide

GC33899

13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide

Also known as ethyl 4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate

13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide is a derivative of Retinoic acid

ChemicalCAS251441-94-8MW447.61FormulaC29H37NO3
CAS number
251441-94-8
Molecular weight
447.61
Formula
C29H37NO3
Solubility
DMSO ： 10 mg/mL (22·34 mM; Need ultrasonic)
InChIKey
VRSMJNVXOITYPE-XWJHKTRCSA-N
Catalogue number
GC33899
Brand
GLPBIO
Computed properties PubChem CID 72950958 · XLogP 7.8 · TPSA 55.4 Ų · H-bond donors 1
XLogP
7.8
TPSA
55.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
33

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

Computed descriptors from PubChem (CID 72950958), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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