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74578-38-4

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Basic Information
CAS No.: 74578-38-4
Name: 1-UFT protocol
Molecular Structure:
Molecular Structure of 74578-38-4 (1-UFT protocol)
Formula: C12H13FN4O5
Molecular Weight: 648.59
Synonyms: FT mixt. with uracil (1:4);Uracil mixt. with 1-(2-tetrahydrofuryl)-5-fluorouracil (4:1);2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, mixt. with 2,4(1H,3H)-pyrimidinedione;1-UFT protocol;Youfuding;Tegafur mixt. with uracil (1:4);5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione; 1H-pyrimidine-2,4-dione;Tegafur - uracil mixture;UFT;1-(2-Tetrahydrofuryl)-5-fluorouracil mixt. with uracil (1:4);Uracil, 5-fluoro-1-(tetrahydro-2-furyl)- mixt. with uracil (1:4);Ufur;Uracil-Tegafur;Uracil mixt. with FT (4:1);2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro- 2-furanyl)-,mixt. with 2,4(1H,3H)-pyrimidinedione;TEGAFUR mixture with URACIL (1:4);URACIL mixture with 1-(2-TETRAHYDROFURYL)-5-FLUOROURACIL (4:1);1-(2-TETRAHYDROFURYL)-5-FLUOROURACIL mixture with URACIL (1:4);FT mixture with URACIL (1:4);URACIL mixture with FT (4:1);Uracil mixt. with tegafur (4:1);
Boiling Point: 467.1 °C at 760 mmHg
Flash Point: 236.3 °C
PSA: 130.59000
LogP: 0.28480
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Specification

The UraciL mixture with Tegafur (4:1), with the CAS registry number 74578-38-4, is also known as Uracil, 5-fluoro-1-(tetrahydro-2-furyl)- mixt. with uracil (1:4). This chemical's molecular formula is C12H13FN4O5 and molecular weight is 312.253823. Its IUPAC name is called 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione; 1H-pyrimidine-2,4-dione. This chemical's classification codes are Antineoplastic Agents; Drug / Therapeutic Agent; Reproductive Effect.

Physical properties of UraciL mixture with Tegafur (4:1): (1)ACD/LogP: -0.77; (2)ACD/LogD (pH 5.5): -0.77; (3)ACD/LogD (pH 7.4): -0.81; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.03; (7)ACD/KOC (pH 7.4): 8.23; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 236.3 °C; (12)Enthalpy of Vaporization: 72.9 kJ/mol; (13)Boiling Point: 467.1 °C at 760 mmHg; (14)Vapour Pressure: 6.72E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(OC1)N2C=C(C(=O)NC2=O)F.C1=CNC(=O)NC1=O
(2)InChI: InChI=1S/C8H9FN2O3.C4H4N2O2/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,10,12,13);1-2H,(H2,5,6,7,8)
(3)InChIKey: DHMYGZIEILLVNR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 150mg/kg (150mg/kg) BEHAVIORAL: TREMOR

VASCULAR: OTHER CHANGES

GASTROINTESTINAL: NAUSEA OR VOMITING		 Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 1009, 1980.
mouse LD50 oral 1275mg/kg (1275mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 1009, 1980.
rabbit LD50 oral 242mg/kg (242mg/kg) VASCULAR: OTHER CHANGES Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 1009, 1980.
rat LD50 oral 1580mg/kg (1580mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 1009, 1980.