Seratrodast
Properties
- Molecular formula
- C22H26O4
- Molar mass
- 354.45 g/mol
- Exact mass
- 354.1831 Da
- Melting point
- 128–129 °C
- logP
- 4.61Crippen estimate
- Polar surface area
- 71.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 8
Hazards
Warning
- H361 Suspected of damaging fertility or the unborn child100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P280, P318, P405, P501
Identifiers
CAS number
112665-43-7SMILES
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=OInChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-NInChI
InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- Benzeneheptanoic acid, ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-
- Benzeneheptanoic acid, ζ-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (±)-
- ζ-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic acid
- AA 2414
- (±)-2,4,5-Trimethyl-3,6-dioxo-ζ-phenyl-1,4-cyclohexadiene-1-heptanoic acid
- ABT 001
- A 73001
- Abbott 73001
- 7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid
- Seratodrast
- Bronica
- 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Work with Seratrodast
Similar compounds
2-Phenylcycloheptan-1-one14996-78-247 % similar
9-Phenylnonanoic acid16269-06-046 % similar
8-Phenyloctanoic acid26547-51-346 % similar
7-Phenyl heptanoic acid40228-90-846 % similar
Benzenepentadecanoic acid40228-93-146 % similar
6-Phenylhexanoic acid5581-75-946 % similar
2-Phenylcyclohexanone1444-65-145 % similar
Benzenepentanoic acid2270-20-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.