Vicriviroc

CAT: 1596-AR-V01339-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V01339-01Size:10 Units

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CAS Number

306296-47-9

Synonyms

(4,6-dimethylpyrimidin-5-yl) (4- ((S) -4- ((R) -2-methoxy-1- (4- (trifluoromethyl) phenyl) ethyl) -3-methylpiperazin-1-yl) -4-methylpiperidin-1-yl) methanone; 1-[ (4,6-dimethyl-5-pyrimidinyl) carbonyl]-4-[ (3S) -4-[ (1R) -2-methoxy-1-[4- (trifluoromethyl) phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-piperidine (2Z) -2-butenedioate (1:1)

Molecular Formula

C28H38F3N5O2

Molecular Weight

533.64

API Name

Vicriviroc

Chemical Information

Vicriviroc

(4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone is a member of (trifluoromethyl)benzenes.

CAS Number	306296-47-9
PubChem CID	3009355
IUPAC Name	(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular Formula	C28H38F3N5O2
Molecular Weight	533.6
XLogP	3.7
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	38
Formal Charge	0
Complexity	773

SMILES

C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C

InChI

InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1

InChIKey

CNPVJJQCETWNEU-CYFREDJKSA-N

Chemical Structure

2D Structure

CAS: 306296-47-9

CID: 3009355

Formula: C28H38F3N5O2

MW: 533.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	533.6
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	533.29775996
Monoisotopic Mass	533.29775996
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	773
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

Alternative Products

Catalog	Name
GTR19210536-01	Vicriviroc
A2589-5.1	Vicriviroc Malate
HY-17377-01	Vicriviroc (maleate)
GTR19172295-01	Vicriviroc maleate

Vicriviroc

Chemical Information

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