Ecabet sodium
Properties
- Molecular formula
- C20H27NaO5S
- Molar mass
- 402.48 g/mol
- Exact mass
- 402.1477 Da
- logP
- 3.77Crippen estimate
- Polar surface area
- 91.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 3
- Stereocentres
- R, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
86408-72-2SMILES
CC(C)c1cc2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)c2cc1S([O-])(=O)=O.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, sodium salt (1:1), (1R,4aS,10aR)-
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, monosodium salt, [1R-(1α,4aβ,10aα)]-
- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, monosodium salt, (1R,4aS,10aR)-
- TA 2711
- Gastrom
Work with Ecabet sodium
Similar compounds
Dehydroabietic acid1740-19-861 % similar
Carnosic acid3650-09-741 % similar
Leelamine1446-61-334 % similar
Conjugated estrogens12126-59-931 % similar
Isosteviol27975-19-531 % similar
Kaurenoic acid6730-83-230 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.