Tert-Buthyl Pitavastatin

CAT: 0931-T13131Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-T13131Size:200 mg

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CAS Number

586966-54-3

Target

HMG-CoA Reductase, Drug Metabolite

Related Pathways

Metabolism

Purity

0.9976

Bioactivity

Tert-Buthyl Pitavastatin is a metabolite of Pitavastatin, a potent HMG-CoA reductase inhibitor.

Smiles

CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1

Molecular Formula

C29H32FNO4

Molecular Weight

477.57

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

tert-Butyl pitavastatin

CAS Number	586966-54-3
PubChem CID	10299312
IUPAC Name	tert-butyl (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Molecular Formula	C29H32FNO4
Molecular Weight	477.6
XLogP	4.8
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	35
Formal Charge	0
Complexity	725

SMILES

CC(C)(C)OC(=O)C[C@@H](C[C@@H](/C=C/C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O

InChI

InChI=1S/C29H32FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21-22,32-33H,8-9,16-17H2,1-3H3/b15-14+/t21-,22-/m1/s1

InChIKey

RCARMBIYAHBUHR-UQECUQMJSA-N

Chemical Structure

2D Structure

CAS: 586966-54-3

CID: 10299312

Formula: C29H32FNO4

MW: 477.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	477.23153666
Monoisotopic Mass	477.23153666
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	725
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T7072-01	Pitavastatin
T2534-01	Pitavastatin calcium
T62598-01	Pitavastatin sodium
T12488-01	Pitavastatin D4
T12490-01	Pitavastatin lactone
T68566-01	Pitavastatin methyl ester
T13380-01	(Z) -Pitavastatin calcium
TMIJ-0119-01	Pitavastatin-d4 Sodium Salt
T10132-01	(3S,5S) -Pitavastatin calcium
T10130-01	(3S,5R) -Pitavastatin calcium

Alternative Products

Catalog	Name
MBS5767724	Tert-Buthyl Pitavastatin
HY-135384R-01	Tert-Buthyl Pitavastatin (Standard)
467191-01	Tert-Butyl Pitavastatin
AR-P02181-01	(3S,5R) -tert-Butyl Pitavastatin
TRC-P531010-25MG	Pitavastatin Lactone Pitavastatin
HY-B0144A-01	Pitavastatin
HY-B0144AS-01	Pitavastatin-d4
ID183162-01	Defluoro pitavastatin

Tert-Buthyl Pitavastatin

Chemical Information

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