Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:50859 - bexarotene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
bexarotene
ChEBI ID
CHEBI:50859
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C24H28O2
Net Charge
0
Average Mass
348.47792
Monoisotopic Mass
348.20893
InChI
InChI=1S/C24H28O2/c1-
15-
13-
20-
21(24(5,6)
12-
11-
23(20,3)
4)
14-
19(15)
16(2)
17-
7-
9-
18(10-
8-
17)
22(25)
26/h7-
10,13-
14H,2,11-
12H2,1,3-
6H3,(H,25,26)
InChIKey
NAVMQTYZDKMPEU-UHFFFAOYSA-N
SMILES
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
bexarotene (
CHEBI:50859
)
has role
antineoplastic agent (
CHEBI:35610
)
bexarotene (
CHEBI:50859
)
is a
benzoic acids (
CHEBI:22723
)
bexarotene (
CHEBI:50859
)
is a
naphthalenes (
CHEBI:25477
)
bexarotene (
CHEBI:50859
)
is a
retinoid (
CHEBI:26537
)
IUPAC Name
4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)vinyl]benzoic acid
INNs
Sources
bexarotène
ChEBI
bexarotene
ChEBI
bexaroteno
ChEBI
bexarotenum
ChEBI
Synonym
Source
p-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthyl)vinyl)benzoic acid
ChemIDplus
Manual Xrefs
Databases
361
DrugCentral
Bexarotene
Wikipedia
D03106
KEGG DRUG
DB00307
DrugBank
US5466861
Patent
WO9321146
Patent
View more database links
Registry Number
Type
Source
153559-49-0
CAS Registry Number
ChemIDplus
Last Modified
22 February 2017