Anticholesteremic Agents - Substances used to lower plasma cholesterol levels.

Hydroxymethylglutaryl-CoA Reductase Inhibitors - Compounds that inhibit HMG-CoA reductases. They have been shown to directly lower cholesterol synthesis.

  Pharmacological Classification

Literature

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Depositor: KEGG
External ID: C06834

Molecular Weight	558.639803 [g/mol]
Molecular Formula	C33H35FN2O5
XLogP3-AA	5
H-Bond Donor	4
H-Bond Acceptor	7
Rotatable Bond Count	12
Tautomer Count	2
Exact Mass	558.253
MonoIsotopic Mass	558.253
Topological Polar Surface Area	112
Heavy Atom Count	41
Formal Charge	0
Complexity	822
Isotope Atom Count	0
Defined Atom StereoCenter Count	2
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

IUPAC Name: (3R,
5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-
ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Canonical SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=
CC=CC=C4
Isomeric SMILES: CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C
(=O)NC4=CC=CC=C4
InChI: InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-
3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28
(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,
27-/m1/s1
InChIKey: XUKUURHRXDUEBC-KAYWLYCHSA-N

SID 9052   
CID 60823   
Related Substances:

Similar Substances: 851 Links

CAS: 134523-00-5
ChEBI: 39548
PDB-CCD: 117
Same as: D07474