Basic information
- CAS
36700-38-6- Standard SMILES
CN1CCCN=C1/C=C\c1cccs1- InChIKey
YSAUAVHXTIETRK-WAYWQWQTSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.08776963
Names & identifiers
- Preferred name
- Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-((1Z)-2-(2-thienyl)ethenyl)-
- IUPAC
- 1-methyl-2-[(Z)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine
- English name
- PYRANTEL IMPURITY A
- Molecular formula
- C11H14N2S
- Molecular weight
- 206.31
Names & synonyms
36700-38-6S6FN82X43EPyrantel embonate impurity A [WHO-IP]UNII-S6FN82X43EPyrantel embonate impurity A [EP]Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-((1Z)-2-(2-thienyl)ethenyl)-1,4,5,6-Tetrahydro-1-methyl-2-((1Z)-2-(2-thienyl)ethenyl)pyrimidine1,4,5,6-Tetrahydro-1-methyl-2-(cis-2-(2-thienyl)vinyl)pyrimidine1-Methyl-2-((1Z)-2-(thiophen-2-yl)ethenyl)-1,4,5,6-tetrahydropyrimidine [WHO-IP]1-Methyl-2-((Z)-2-(thiophen-2-yl)eth-1-en-1-yl)-1,4,5,6-tetrahydropyrimidinePYRANTEL EMBONATE IMPURITY A [EP IMPURITY]PYRANTEL EMBONATE IMPURITY A (EP IMPURITY)
Show more names
Z-PyrantelPYRANTEL IMPURITY APyrantel embonate EP Impurity APyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1Z)-2-(2-thienyl)ethenyl]-1-Methyl-2-[(Z)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine
1-methyl-2-[(1Z)-2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine1-METHYL-2-((1Z)-2-(THIOPHEN-2-YL)ETHENYL)-1,4,5,6-TETRAHYDROPYRIMIDINERefChem:177757PYRANTEL EMBONATE IMPURITY A1-methyl-2-[(Z)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine(Z)-1-Methyl-2-(2-(thiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidinePyrantel EP Impurity APyrantel impurity A CRS
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 324.4 · 324.4±44.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.6 · 12.60±0.20(Predicted)
- Major Application
- pharmaceutical (small molecule)
- FDA UNII
- 6 FN82X43E · S6FN82X43E
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Chemistry & industry
Applications
UsesAn isomeric impurity of the antiparasitic agent Pyrantel Pamoate (P840575)
Suppliers13 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海择睿生物科技有限公司
Related reactions
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Compound notes
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