Basic information
- CAS
23904-98-5- Standard SMILES
CC(O)CN1CCN(CCSC(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
QPAXGZSTUKCJSK-UHFFFAOYSA-N- Molecular formula
- C26H33ClN2O9S
- Average molar mass
- 585.1 g/mol
- Monoisotopic mass
- 584.1595295
Names & identifiers
- Preferred name
- Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)-, dioxalate
- IUPAC
- 1-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acid
- English name
- Flupentixol EP impurity A -G
- Molecular formula
- C24H31ClN2O5S
- Molecular weight
- 495.03
Names & synonyms
23904-98-51-(2-(alpha-(p-Chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)piperazine dioxalatePiperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-hydroxypropyl)-, dioxalateRefChem:3720061-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]propan-2-ol;oxalic acidFlupentixol EP impurity A -GDTXSID30946720Oxalic acid--1-[4-(2-{[(4-chlorophenyl)(phenyl)methyl]sulfanyl}ethyl)piperazin-1-yl]propan-2-ol (2/1)Flupentixol EP impurity AFlupentixol Impurity 1（Flupentixol EP Impurity A）
Database identifiers
- CAS
23904-98-5- PubChem CID
- 91035
- DTXSID
DTXSID30946720
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 477
Chemistry & industry
Suppliers7 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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