Products for Research Use Only
RegisterLogin

Beclabuvir 25mg

CAT: 0628-A21511-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A21511-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
958002-33-0

Chemical Information

(8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

See also: Beclabuvir (annotation moved to).

CAS Number958002-33-0
PubChem CID49773361
IUPAC Name(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
Molecular FormulaC36H45N5O5S
Molecular Weight659.8
XLogP4.5
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity1320
SMILES
CN1CC2CCC(C1)N2C(=O)[C@]34C[C@H]3C5=C(C=CC(=C5)OC)C6=C(C7=C(N6C4)C=C(C=C7)C(=O)NS(=O)(=O)N(C)C)C8CCCCC8
InChI
InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1
InChIKey
ZTTKEBYSXUCBSE-VSBZUFFNSA-N
Chemical Structure
2D Structure
2D structure of (8S,10R)-19-Cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CAS: 958002-33-0
CID: 49773361
Formula: C36H45N5O5S
MW: 659.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.8
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass659.31414073
Monoisotopic Mass659.31414073
Topological Polar Surface Area113 Ų
Heavy Atom Count47
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A21511-10Beclabuvir 10mg
A21511-50Beclabuvir 50mg
A21511-100Beclabuvir 100mg
A21511-5Beclabuvir 5mg
A21511-1Beclabuvir 1mg
A23525-25Selenocystine 25mg
A23453-25Dihydrocyclosporin A 25mg
A23072-25Abaloparatide 25mg
A19658-25Asciminib 25mg
A19656-25Y06137 25mg

Alternative Products

CatalogName
T10493Beclabuvir
INB00236-01Beclabuvir hydrochloride
GTR19211645-01Beclabuvir HCl
HY-12429ABeclabuvir (hydrochloride)
1871-25mgTDM, 25mg
1050-25mgDAPI, 25mg
M-NU-406-25ATPγS 25mg
OOMC00077-25MGOOMC00077-25MG - Ruxolitinib
OOMC00027-25MGOOMC00027-25MG - Ascomycin
1920-25mgMitomycin C, 25mg

Popular Products