Torcitabine

CAT: 0931-T34904-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T34904-02Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

40093-94-5

Target

Others, HBV

Related Pathways

Others, Microbiology/Virology

Bioactivity

Torcitabine is useful against the hepatitis B virus.

Smiles

Nc1ccn([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)n1

Molecular Formula

C9H13N3O4

Molecular Weight

227.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Torcitabine

Torcitabine is a nucleoside inhibitor with activity against hepatitis B virus. Torcitabine is modified in vivo to its triphosphate form and acts as a competitive inhibitor of viral DNA polymerase.

CAS Number	40093-94-5
PubChem CID	159354
IUPAC Name	4-amino-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C9H13N3O4
Molecular Weight	227.22
XLogP	-1.8
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	355

SMILES

C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O

InChI

InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1

InChIKey

CKTSBUTUHBMZGZ-CHKWXVPMSA-N

Chemical Structure

2D Structure

CAS: 40093-94-5

CID: 159354

Formula: C9H13N3O4

MW: 227.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	227.22
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	227.09060590
Monoisotopic Mass	227.09060590
Topological Polar Surface Area	108 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
BA1838-5.1	Torcitabine

Torcitabine

Chemical Information

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