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| CAS No.: | 190786-44-8 |
|---|---|
| Name: | Bepotastine besilate |
| Molecular Structure: | |
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|
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| Formula: | C21H25ClN2O3.C6H6O3S |
| Molecular Weight: | 547.072 |
| Synonyms: | (+)-(S)-4-(4-((4-Chlorophenyl)(2-pyridyl)methoxy)piperidino)butyric acid monobenzenesulfonate;benzenesulfonic acid; 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]butanoic acid;Bepotastine besilate (JAN);1-Piperidinebutanoic acid,4-[(S)-(4-chlorophenyl)-2- pyridinylmethoxy]-,monobenzenesulfonate;benzenesulfonic acid; 4-[4-[(R)-(4-chlorophenyl)-pyridin-2-yl-methoxy]-1-piperidyl]butanoic acid;4-((4-Chlorophenyl)-2-pyridinylmethoxy)- (S)-1-piperidinebutanoic acid monobenzenesulfonate;Talion;Talion (TN);1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (S)-, monobenzenesulfonate;Bepotastine Beslilate;Betahistinemesilate; |
| EINECS: | 1806241-263-5 |
| Melting Point: | 161-163° |
| Boiling Point: | 546.8 °C at 760 mmHg |
| Flash Point: | 284.5 °C |
| Appearance: | Brown Viscous liquid |
| PSA: | 125.41000 |
| LogP: | 6.12220 |
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Chemistry
Molecular Structure of Bepotastine besilate (CAS NO.190786-44-8):
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IUPAC Name: Benzenesulfonic acid ; 4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
Molecular Formula: C21H25ClN2O3.C6H6O3S
Molecular Weight: 547.07
Product Categories: API
Rotatable Bond Count: 9
Exact Mass: 546.159135
MonoIsotopic Mass: 546.159135
Topological Polar Surface Area: 125
Heavy Atom Count: 37
Complexity: 632
H-Bond Donor: 2
H-Bond Acceptor: 8
Flash Point: 284.5 °C
Enthalpy of Vaporization: 86.93 kJ/mol
Boiling Point: 546.8 °C at 760 mmHg
Vapour Pressure: 8.63E-13 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent; Reproductive Effect
SMILES: O=S(=O)(O)c1ccccc1.Clc1ccc(cc1)[C@H](OC2CCN(CCCC(=O)O)CC2)c3ncccc3
InChI: InChI=1/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1
InChIKey: UDGHXQPQKQPSBB-BOXHHOBZBJ
Specification
Bepotastine besilate (CAS NO.190786-44-8), its Synonyms are (+)-(S)-4-(4-((4-Chlorophenyl)(2-pyridyl)methoxy)piperidino)butyric acid monobenzenesulfonate ; 4-((4-Chlorophenyl)-2-pyridinylmethoxy)- (S)-1-piperidinebutanoic acid monobenzenesulfonate ; Betotastine besilate ; Bepreve ; 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (S)-, monobenzenesulfonate ; Talion .