Small Molecule atorvastatin

URN urn:agi-cas:110862-48-1
Total Entities 1
Connectivity 3296
Name atorvastatin
Molecular Weight 558.650000
XLogP 5.678400

ChildConcepts AM-682

Pathway Anti-psoriatic drugs influence PPARG signaling

MedScan ID 1223066

Alias Atorvastatin (R-(R*,R*))
Atorvastatin
astator
DRG-0321
(R*,R*)-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoic acid
Sotis
Liprimar
[(14)C]atorvastatin
lipibec
orbeos
Xavator
Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)
134523-03-8
PD 134298-38A
(betaR,deltaR)-rel-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoate
2 (4 fluorophenyl) beta,delta dihydroxy 5 isopropyl 3 phenyl 4 phenylcarbamoyl 1h pyrrole 1 heptanoic acid
Atovastatin
atostin
atorvastatin calcium trihydrate
atoris
Atorvastatin calcium salt
(1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid
statorva
(betaR,deltaR)- 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoic acid
(betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid
7-[[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]]-3,5-dihydroxy-heptanoic acid
(R*,R*)-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoate
Atorvastatin (R*,R*)
storvas
ator
110862-48-1
Atorvastan
liptonorm
(R-(R*,R*))-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoic acid calcium salt (2:1)
7-[[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]]-3,5-dihydroxy-heptanoate
CCRIS 7159
atovarol
Atorlip
(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoate
Torvast
Atorvastatin calcium
zarator
atorab
glustar
obradon
Totalip
lowlipen
134523-00-5
(1betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate
Tozalip
HSDB 7039
CI 981
(R-(R*,R*))-beta,delta-dihydroxy-2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoic acid calcium salt (2:1)
Sortis
atovans
tahor
(betaR,deltaR)- 2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoate
CI-981
(R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid
Atorvistatin
atorvastine
calcium (betar,dr)-2-(p-fluorophenyl)-beta,d-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate
(betaR,deltaR)-rel-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-Pyrrole-1-heptanoic acid
prevencor
(betaR,deltaR)-2-(p-Fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate
ym548
atorvadivid
calcium 1-(6-carboxylato-3,5-dihydroxy-hexyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
Lipitor
xarator
Cardyl

CAS ID 110862-48-1
1108202-55-6
134523-03-8
334757-04-9
134523-00-5

Reaxys ID 14456345
14531466
15443248
5373842
8373630

ChEBI ID 39548
50686

PharmaPendium ID Atorvastatin Calcium

HMDB ID HMDB05006

KEGG ID C06834

InChIKey XUKUURHRXDUEBC-KAYWLYCHSA-N
FQCKMBLVYCEXJB-MNSAWQCASA-L
XUKUURHRXDUEBC-SVBPBHIXSA-N

Molecular Formula C33H35FN2O5
C66H68CaF2N4O10

PubChem SID 135017553
135019185
135260057

PubChem CID 60822
60823
62976

XLogP-AA 5

IUPAC Name calcium;(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthate
(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid
(3S,5S)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid

Rotatable Bond Count 22
12