9-cis-Retinoic acid
Properties
- Molecular formula
- C20H28O2
- Molar mass
- 300.44 g/mol
- Exact mass
- 300.2089 Da
- Melting point
- 190–191 °C
- Water solubility
- insoluble
- logP
- 5.60Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
- H360 May damage fertility or the unborn child97.6% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5300-03-8SMILES
CC1=C(/C=C/C(C)=CC=CC(C)=CC(=O)O)C(C)(C)CCC1InChIKey
SHGAZHPCJJPHSC-ZVCIMWCZSA-NInChI
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Retinoic acid, 9-cis-
- Retinoic acid, cis-9,trans-13-
- 9-cis-Tretinoin
- 9(Z)-Retinoic acid
- ALRT 1057
- AGN 192013
- Alitretinoin
- Panrexin
- NSC 659772
- LGD 1057
- Panretyn
- LGD 100057
- Panretin
- LG 100057
- Toctino
Work with 9-cis-Retinoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Beta-carotene7235-40-773 % similar
Retinal116-31-469 % similar
Vitamin A11103-57-466 % similar
Retinol68-26-866 % similar
Retinyl retinoate15498-86-965 % similar
Hydroxypinacolone retinoate893412-73-263 % similar
Retinyl acetate127-47-962 % similar
Fenretinide65646-68-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.