Rosuvastatin Impurity 132

CAT: 1299-RM-R192332-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R192332-01Size:10 mg

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CAS Number

1469771-46-7

Synonyms

(3R,5S) -tert-butyl 6- (benzo[d]thiazol-2-ylthio) -3,5-dihydroxyhexanoate

Molecular Formula

C17H23NO4S2

Molecular Weight

369.5

Target Alternative Name

Rosuvastatin

Product Name Synonym

(3R,5S) -tert-butyl 6- (benzo[d]thiazol-2-ylthio) -3,5-dihydroxyhexanoate

Chemical Information

tert-butyl (3R,5S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dihydroxyhexanoate

CAS Number	1469771-46-7
PubChem CID	176476551
IUPAC Name	tert-butyl (3R,5S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dihydroxyhexanoate
Molecular Formula	C17H23NO4S2
Molecular Weight	369.5
XLogP	2.3
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	416

SMILES

CC(C)(C)OC(=O)C[C@@H](C[C@@H](CSC1=NC2=CC=CC=C2S1)O)O

InChI

InChI=1S/C17H23NO4S2/c1-17(2,3)22-15(21)9-11(19)8-12(20)10-23-16-18-13-6-4-5-7-14(13)24-16/h4-7,11-12,19-20H,8-10H2,1-3H3/t11-,12+/m1/s1

InChIKey

KWBZUYSMHIAPBU-NEPJUHHUSA-N

Chemical Structure

2D Structure

CAS: 1469771-46-7

CID: 176476551

Formula: C17H23NO4S2

MW: 369.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.5
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	369.10685056
Monoisotopic Mass	369.10685056
Topological Polar Surface Area	133 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	416
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
Compound Is Canonicalized	Yes

Catalog	Name
RM-R192296-01	Rosuvastatin Impurity 8 (Rosuvastatin EP Impurity N Mix Rosuvastatin EP Impurity K)
RM-R192274-01	Rosuvastatin Impurity 74 (Rosuvastatin D-5 Enatiomer Impurity)
RM-R192312-01	Rosuvastatin Impurity 112
RM-R192309-01	Rosuvastatin Impurity 109
RM-R192377-01	Rosuvastatin Impurity 177
RM-R192372-01	Rosuvastatin Impurity 172
RM-R192303-01	Rosuvastatin Impurity 103
RM-R192300-01	Rosuvastatin Impurity 100
RM-R192414-01	Rosuvastatin Impurity 214
RM-R192411-01	Rosuvastatin Impurity 211