Atazanavir Impurity 6

CAT: 1299-RM-A200106-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A200106-01Size:10 mg

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CAS Number

156474-22-5

Synonyms

Tert-butyl ((R) -1- ((S) -oxiran-2-yl) -2-phenylethyl) carbamate

Molecular Formula

C15H21NO3

Molecular Weight

263.33

Target Alternative Name

Atazanavir

Product Name Synonym

Tert-butyl ((R) -1- ((S) -oxiran-2-yl) -2-phenylethyl) carbamate

Chemical Information

tert-Butyl ((R)-1-((S)-oxiran-2-yl)-2-phenylethyl)carbamate

CAS Number	156474-22-5
PubChem CID	11402815
IUPAC Name	tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
Molecular Formula	C15H21NO3
Molecular Weight	263.33
XLogP	2.6
Topological Polar Surface Area	50.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	305

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)[C@H]2CO2

InChI

InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m1/s1

InChIKey

NVPOUMXZERMIJK-CHWSQXEVSA-N

Chemical Structure

2D Structure

CAS: 156474-22-5

CID: 11402815

Formula: C15H21NO3

MW: 263.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.33
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	263.15214353
Monoisotopic Mass	263.15214353
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	305
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-A200108-01	Atazanavir Impurity 8
RM-A200101-01	Atazanavir Impurity 1
RM-A200117-01	Atazanavir Impurity 17
RM-A200107-01	Atazanavir Impurity 7
RM-A200104-01	Atazanavir Impurity 4
RM-A200115-01	Atazanavir Impurity 15
RM-A200116-01	Atazanavir Impurity 16
RM-A200103-01	Atazanavir Impurity 3
RM-A200105-01	Atazanavir Impurity 5
RM-A200114-01	Atazanavir EP Impurity C (Atazanavir Des (Pyridylbenzyl) )