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4-Dehydroxy-4-chloro Penciclovir

CAT: 0572-TRC-D230245-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D230245-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100199-40-4
Synonyms
2-Amino-9-(4-chloro-3-(hydroxymethyl)butyl)-1H-purin-6(9H)-one
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O=C1NC(N)=NC2=C1N=CN2CCC(CO)CCl
Molecular Formula
C10H14ClN5O2
Molecular Weight
271.7
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Dehydroxy-4-chloro Penciclovir
CAS Number100199-40-4
PubChem CID135740296
IUPAC Name2-amino-9-[3-(chloromethyl)-4-hydroxybutyl]-1H-purin-6-one
Molecular FormulaC10H14ClN5O2
Molecular Weight271.70
XLogP-0.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity351
SMILES
C1=NC2=C(N1CCC(CO)CCl)N=C(NC2=O)N
InChI
InChI=1S/C10H14ClN5O2/c11-3-6(4-17)1-2-16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,1-4H2,(H3,12,14,15,18)
InChIKey
KUNXFLMNYSWWKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Dehydroxy-4-chloro Penciclovir
CAS: 100199-40-4
CID: 135740296
Formula: C10H14ClN5O2
MW: 271.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.70
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass271.0836024
Monoisotopic Mass271.0836024
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
446040-01Dehydroxy- (chloro) Penciclovir
AR-P01358-01Penciclovir Impurity 4
MBS6107367-01Penciclovir (2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6H-purin-6-one)
P3149Penciclovir (2-Amino-1,9-dihydro-9-[4-hydroxy-3- (hydroxymethyl) butyl]-6H-purin-6-one)
P3149-01Penciclovir-d4 (2-Amino-1,9-dihydro-9-[4-hydroxy-3- (hydroxymethyl) butyl]-6H-purin-6-one)
MBS6075775-01Penciclovir-d4 (2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl]-6H-purin-6-one)
4320504-Dehydroxy-4-chloro Olsalazine
EEC71698-014-Dehydroxy-4-amino ezetimibe
ID1063944-Dehydroxy-4-dimethylhydroxysilyl entecavir
446041-01Dehydroxy-chloro 2,3,4-Tri-O-trimethylsilylepilincomycin

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