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Vaniprevir

CAT: 0127-BUP20022-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20022-04Size:50 mg
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CAS Number
923590-37-8
Synonyms
MK7009 , MK-7009
Purity
=95%
Smiles
[C@@H](N(C[C@H]1[C@@H](F)CNC1)C([C@H](C)O)=O)(C(CC(NCCN2C(=O)C=CC2=O)=O)(C)C)C=3N(CC4=CC=CC=C4)C=C(N3)C5=C(F)C=CC(F)=C5

Chemical Information

Vaniprevir

Vaniprevir has been used in trials studying the treatment and diagnostic of Hepatitis C, Chronic Hepatitis C, Hepatitis C, Chronic, Chronic Hepatitis C Infection, and Chronic Genotype 1 Hepatitis C Virus Infection.

CAS Number923590-37-8
PubChem CID24765256
IUPAC Name(1R,21S,24S)-21-tert-butyl-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide
Molecular FormulaC38H55N5O9S
Molecular Weight757.9
XLogP5.1
Topological Polar Surface Area189
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count53
Formal Charge0
Complexity1550
SMILES
CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCC5=C6CN(CC6=CC=C5)C(=O)O4)(C)C)C(C)(C)C
InChI
InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1
InChIKey
KUQWGLQLLVFLSM-ONAXAZCASA-N
Chemical Structure
2D Structure
2D structure of Vaniprevir
CAS: 923590-37-8
CID: 24765256
Formula: C38H55N5O9S
MW: 757.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight757.9
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass757.37204952
Monoisotopic Mass757.37204952
Topological Polar Surface Area189 Ų
Heavy Atom Count53
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19184069-01Vaniprevir
A11600-50Vaniprevir 50mg
A11600-10Vaniprevir 10mg
A11600-25Vaniprevir 25mg
A11600-5Vaniprevir 5mg

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