UCSF

ZINC03806413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 25 Yes

Popular Name: Capecitabine Capecitabine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 154361-50-9 , 154361-50-9; 158798-73-3 , 158798-73-3 , [154361-50-9]

Other Names:

(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester

(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; 154361-50-9; C12650; Capecitabine

(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; Capecitabin; Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate; pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-flu

citabine

154361-50-9

154361-50-9; Capecitabine (JAN/USAN/INN); D01223; Xeloda (TN)

158798-73-3

5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine

5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine; C15H22FN3O6; CAPECITABINE; Capecitabine [USAN]; Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester; Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbony

5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine

AC1L1U83

AC1Q4KU8

Ambap154361-50-9

C110904

C12650

C15H22FN3O6

Capecitabin

capecitabina

capecitabina; capecitabine; capecitabinum

Capecitabine (BAN

Capecitabine (JAN/USAN/INN)

Capecitabine (Xeloda)

Capecitabine [USAN]

capecitabinum

Capecitibine

Capiibine

Captabin

Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Caxeta

CHEBI:31348

CHEMBL1773

CID60953

Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-

Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-

D01223

DAP000761

DB01101

FDA

FT-0082472

HSDB 7656

INN

LS-59070

MFCD00930626

MolPort-005-938-254

N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine

NA

Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrim

Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate

Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate

pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate

PENTYLDIHYDROXYMETHYLTETRAHYDROFURANYLFLUOROOXODIHYDROPYRI

PENTYLDIHYDROXYMETHYLTETRAHYDROFURANYLFLUOROOXODIHYDROPYRIMIDINYLCARBAMAT

R-340

R340

RG-340

Ro 09-1978

Ro 09-1978/000

Ro-09-1978

Ro-09-1978-000

Ro-09-1978/000

Ro-091978000

S1156_Selleck

UNII-6804DJ8Z9U

USAN)

Xabine

Xeloda

Xeloda (TN)

Xeloda, Captabin, Capecitabine

ZINC03806413

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 -6.22 -19.62 3 9 0 122 359.354 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.48e-01 g/l DrugBank-approved
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
Indications anticancer KeyOrganics Bioactives
Therapy antineoplastic SMDC Pharmakon
Target DNA/RNA Synthesis Selleck Chemicals
PUBCHEM_PATENT_ID EP0698611A1; EP0698611B1; US5472949; US5476932; US6005098; US6114520; WO1996037214A2; WO1999040099A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )