Lisinopril R,S,S-diketopiperazine
Grundinformationen
- CAS
219677-82-4- Standard-SMILES
NCCCC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1[C@@H](CCc1ccccc1)C(=O)O- InChIKey
FUEMHWCBWYXAOU-SQNIBIBYSA-N- Summenformel
- C21H29N3O4
- Durchschnittliche Molmasse
- 387,5 g/mol
- Monoisotopische Masse
- 387,21580641
Überblick
Lisinopril (8r,s)-diketopiperazine is a dipeptide.
Namen und Bezeichner
- Bevorzugter Name
- Lisinopril R,S,S-diketopiperazine
- IUPAC
- (2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acid
- Englischer Name
- Lisinopril R,S,S-Diketopiperazine
- Summenformel
- C21H29N3O4
- Molmasse
- 387.47
Namen und Synonyme
Lisinopril R,S,S-diketopiperazine219677-82-43YLW25P64OUNII-3YLW25P64ODTXSID60176376Lisinopril specified impurity D [EP]LISINOPRIL IMPURITY D [EP IMPURITY](2S)-2-((3S,8aR)-3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo(1,2-a)pyrazin-2(1H)-yl)-4-phenylbutanoic acid(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic acidPYRROLO(1,2-A)PYRAZINE-2(1H)-ACETIC ACID, 3-(4-AMINOBUTYL)HEXAHYDRO-1,4-DIOXO-.ALPHA.-(2-PHENYLETHYL)-, (.ALPHA.S,3S,8AR)-Pyrrolo(1,2-a)pyrazine-2(1H)-acetic acid, 3-(4-aminobutyl)hexahydro-1,4-dioxo-alpha-(2-phenylethyl)-, (alphaS,3S,8aR)-LISINOPRIL IMPURITY D (EP IMPURITY)
Weitere Namen anzeigen
Lsinopril imp DLisinopril-EP-Imp-DLisinopril diketopipirazineLisinopril Dihydrate EP Impurity D(2S)-2-[(3S,8aR)-3-(4-Aminobutyl)-1LisinoprilEPImpurityDHCl-DiketopiperazineHCl)
RefChem:153659Lisinopril specified impurity DDTXCID8098867Lisinopril EP Impurity D(2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acidLisinopril (S,S,R)-Diketopiperazine (~90%)(S)-2-((3S,8aR)-3-(4-aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-4-phenylbutanoic acidLisinopril Impurity D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 576
Physikochemische Eigenschaften
- Schmelzpunkt
- 214 oC · >214oC (dec.)
- Siedepunkt
- 650.8 · 650.8±55.0 °C(Predicted)
- Dichte
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 3.56 · 3.56±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- Major Application
- pharmaceutical
- InChI
- 1S/C21H29N3O4/c22-13-5-4-9-17-19(25)23-14-6-10-16(23)20(26)24(17)18(21(27)28)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,22H2,(H,27,28)/t16-,17+,18+/m1/s1
- InChIKey
- FUEMHWCBWYXAOU-SQNIBIBYSA-N
- SMILES
- [N+H3]CCCC[C@@H]1N(C(=O)[C@@H]3N(CCC3)C1=O)[C@@H](CCc2ccccc2)C(=O)[O-]
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenLisinopril (S,S,R)-Diketopiperazine (Lisinopril EP Impurity D) is an impurity of Lisinopril (L468985), an orally active angiotensin-converting enzyme (ACE) inhibitor (1).
Anbieter42 Anbieter
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
星基医药（上海）有限公司15705593425
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
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