CAS Registry Number®
112665-43-7
CAS Name
Seratrodast
Molecular Formula
C22H26O4
Molecular Mass
354.44
Compound Properties
-
Melting Point (1)
128-129 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
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)
InChIKey
InChIKey=ZBVKEHDGYSLCCC-UHFFFAOYSA-N
SMILES
C(CCCCCC(O)=O)(C1=C(C)C(=O)C(C)=C(C)C1=O)C2=CC=CC=C2
Canonical SMILES
O=C(O)CCCCCC(C=1C=CC=CC1)C=2C(=O)C(=C(C(=O)C2C)C)C
Other Names for this Substance
- 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
- Seratrodast
- 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
Deleted or Replaced CAS Registry Numbers
103186-19-2
