11-Descyclopropyl nevirapine
Grundinformationen
- CAS
287980-84-1- Standard-SMILES
Cc1ccnc2c1NC(=O)c1cccnc1N2- InChIKey
RKCRKBSFEVQVSX-UHFFFAOYSA-N- Summenformel
- C12H10N4O
- Durchschnittliche Molmasse
- 226,23 g/mol
- Monoisotopische Masse
- 226,08546094
Namen und Bezeichner
- Bevorzugter Name
- 11-Descyclopropyl nevirapine
- IUPAC
- 7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- Englischer Name
- BIRG 616 BS
- Summenformel
- C12H10N4O
- Molmasse
- 226.23
Namen und Synonyme
BIRG-616 BS11-Descyclopropyl nevirapineUNII-MCP19Y3O9VMCP19Y3O9VNevirapine, anhydrous specified impurity B [EP]Nevirapine hemihydrate specified impurity B [EP]NEVIRAPINE IMPURITY B [EP IMPURITY]NEVIRAPINE ANHYDROUS IMPURITY B [WHO-IP]NEVIRAPINE HEMIHYDRATE IMPURITY B [WHO-IP]NEVIRAPINE HEMIHYDRATE IMPURITY B [EP IMPURITY]NEVIRAPINE IMPURITY B (EP IMPURITY)NEVIRAPINE HEMIHYDRATE IMPURITY B (EP IMPURITY)
Weitere Namen anzeigen
Nevirapine EP Imp BNevirapine impurity B RSNevirapine Related CoMpound BNevirapine USP Related Compound B4-Methyl-5,11-dihydro-6H-dipyrido[34-methyl-5,11-dihydrodipyrido[3,2-[1,4]diazepin-6-oneNevirapine EP Impurity B/ Nevirapine Related Compound B4-methyl-5,11-dihydro-6H-dipyrido[3,2-b：2′,3′-e][1,4]diazepin-6-one
RefChem:197119NEVIRAPINE ANHYDROUS IMPURITY BNEVIRAPINE HEMIHYDRATE IMPURITY BNevirapine hemihydrate specified impurity BNevirapine, anhydrous specified impurity B287980-84-1BIRG 616 BSNevirapine EP Impurity B
Datenbank-Bezeichner
- CAS
287980-84-1- PubChem CID
- 22399003
- DTXSID
DTXSID601382425- ChEMBL
CHEMBL508752- UNII
- MCP19Y3O9V
- EC Number
- 642-343-4
- Nikkaji
- J1.359.172E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 66,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 309
Physikochemische Eigenschaften
- Siedepunkt
- 366.4 · 366.4±42.0 °C(Predicted)
- Dichte
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 11.45 · 11.45±0.20(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C12H10N4O/c1-7-4-6-14-11-9(7)15-12(17)8-3-2-5-13-10(8)16-11/h2-6H,1H3,(H,15,17)(H,13,14,16)
- InChIKey
- RKCRKBSFEVQVSX-UHFFFAOYSA-N
- SMILES
- [nH]1c2nccc(c2[nH][c](c3c1nccc3)=O)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P301+P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933997500
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
VerwendenBIRG 616 BS is a metabolite of Nevirapine (N391275), a potent and selective non-nucleoside inhibitor of HIV-1 Reverse Transcriptase used as an antiretroviral agent.
Anbieter20 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海策嵘生物科技有限公司[email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [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]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…