Ritonavir Hydroxy impurity

CAT: 1596-AR-R11099-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11099-02Size:25 Units

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CAS Number

2519851-81-9

Synonyms

(((2- (2-Hydroxypropan-2-yl) thiazol-4-yl) methyl) (methyl) carbamoyl) -L-valine

Molecular Formula

C14H23N3O4S

Molecular Weight

329.42

API Name

Ritonavir

Chemical Information

(S)-2-(3-((2-(2-Hydroxypropan-2-yl)thiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic Acid

CAS Number	2519851-81-9
PubChem CID	125347328
IUPAC Name	(2S)-2-[[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
Molecular Formula	C14H23N3O4S
Molecular Weight	329.42
XLogP	0.8
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	417

SMILES

CC(C)[C@@H](C(=O)O)NC(=O)N(C)CC1=CSC(=N1)C(C)(C)O

InChI

InChI=1S/C14H23N3O4S/c1-8(2)10(11(18)19)16-13(20)17(5)6-9-7-22-12(15-9)14(3,4)21/h7-8,10,21H,6H2,1-5H3,(H,16,20)(H,18,19)/t10-/m0/s1

InChIKey

NZHBDVDFIJVUMR-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 2519851-81-9

CID: 125347328

Formula: C14H23N3O4S

MW: 329.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.42
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	329.14092740
Monoisotopic Mass	329.14092740
Topological Polar Surface Area	131 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
AR-R01733-01	Ritonavir Impurity E (Hydroxy Ritonavir)
AR-R01738-01	Ritonavir Impurity
AR-R01735-01	Ritonavir Impurity O
AR-R11087-01	Ritonavir Impurity 16
AR-R11078-01	Ritonavir Impurity 7
AR-R11083-01	Ritonavir Impurity 12
AR-R11089-01	Ritonavir EP Impurity A
AR-R01744-01	Ritonavir Impurity 2
AR-R01746-01	Ritonavir Impurity U
AR-R11100-01	Ritonavir Impurity 26