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Ravidasvir

CAT: 0926-SZB08793-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-SZB08793-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1242087-93-9
MDL Number
MFCD30531532
Smiles
CC (C) C (C (=O) N1CCCC1C2=NC3=C (N2) C=C (C=C3) C4=CC5=C (C=C4) C=C (C=C5) C6=CN=C (N6) C7CCCN7C (=O) C (C (C) C) NC (=O) OC) NC (=O) OC
Molecular Formula
C42H50N8O6
Molecular Weight
762.9 g/mol
Controlled
No

Chemical Information

Ravidasvir

Ravidasvir is under investigation in clinical trial NCT02961426 (Sofosbuvir Plus Ravidasvir for the Treatment of HCV Chronic Infection).

CAS Number1242087-93-9
PubChem CID52918888
IUPAC Namemethyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC42H50N8O6
Molecular Weight762.9
XLogP6.1
Topological Polar Surface Area175
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count56
Formal Charge0
Complexity1400
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C42H50N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1
InChIKey
LCHMHYPWGWYXEL-ZYADHFCISA-N
Chemical Structure
2D Structure
2D structure of Ravidasvir
CAS: 1242087-93-9
CID: 52918888
Formula: C42H50N8O6
MW: 762.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight762.9
XLogP36.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass762.38533134
Monoisotopic Mass762.38533134
Topological Polar Surface Area175 Ų
Heavy Atom Count56
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202498-01Ravidasvir
HY-124191-01Ravidasvir (hydrochloride)
MBS3601217-01Ravidasvir dihydrochloride
MBS5814467Ravidasvir HCl
AR-R09992-01Ravidasvir Impurity A
AR-R09995-01Ravidasvir Impurity M
AR-R10001-01Ravidasvir Impurity N
AR-R10000-01Ravidasvir Impurity L
GTR19154034-01Ravidasvir free base
AR-R09996-01Ravidasvir Impurity H

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