Unii-O3pen5V8WL

HCID 453331CAS 133627-17-5

기본 정보

표준 SMILES: CCN1c2ncccc2C(=O)Nc2c(C)ccnc21
InChIKey: HDVZWQWXAQRFKJ-UHFFFAOYSA-N
분자식: C14H14N4O
평균 분자량: 254.29 g/mol
단동위원소 질량: 254.11676107

이름 및 식별자

우선 이름: Unii-O3pen5V8WL
IUPAC: 2-ethyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
영어명: 5,11-dihydro-6H-11-ethyl-4-Methyl-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
분자식: C14H14N4O
분자량: 254.29

이름 및 동의어

133627-17-5UNII-O3PEN5V8WLBIRH 414BIRH-414Nevirapine EP Impurity AO3PEN5V8WL2-ethyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-oneCHEMBL37628N11-Ethyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one11-ethyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneN11-Ethyl-4-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneDipyridodiazepinone deriv. 2

이름 더 보기

Nevirapine Related CoMpound ABIRH 414 BSNevirapine USP Related Compound A11-Ethyl-4-methyl-5,11-dihydro-6H-dNevirapine Related Compound A (15 mg)Nevirapine EP Impurity A/ Nevirapine Related Compound A11-Ethyl-5H-dipyrido[3,2-b:2'',3''-e][1,4]diazepin-6(11H)-one11-ethyl-4-methyl-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-one

11-Ethyl-4-methyl-5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-oneNevirapine Anhydrous Imp. A (EP); Nevirapine USP Related Compound A; Nevirapine USP RC A; 11-Ethyl-4-methyl-5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-one; Nevirapine Related Compound A; Nevirapine Impurity ABIRH-414 BSBDBM1517SCHEMBL8300618DTXSID20158254NEVIRAPINE IMPURITY A [EP IMPURITY]11-DESCYCLOPROPYL-11-ETHYLNEVIRAPINE

데이터베이스 식별자

CAS: 133627-17-5
PubChem CID: 453331
DTXSID: DTXSID20158254
ChEMBL: CHEMBL37628
UNII: O3PEN5V8WL
EC Number: 642-346-0
Nikkaji: J420.599E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 58.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 348

물리화학적 성질

녹는점: 212 · 212-214℃ (1,2-dichloroethane )
끓는 점: 389.8 · 389.8±42.0 °C(Predicted)
밀도: 1.224 · 1.224±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-30°C
산도 계수 (pKa): 12.05 · 12.05±0.20(Predicted)
주요 응용: 의약품(소분자)
InChI: 1S/C14H14N4O/c1-3-18-12-10(5-4-7-15-12)14(19)17-11-9(2)6-8-16-13(11)18/h4-8H,3H2,1-2H3,(H,17,19)
InChIKey: HDVZWQWXAQRFKJ-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2933997500
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1STOT RE 2 Inhalation
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도BIRH 414 is an derivative of 1-[(2-Hydroxyethoxy)methyl]-6-(phenylthio)thymine, a highly potent inhibitor of wild-type human immunodeficiency virus type 1. BIRH 414 was also shown to exhibit binding affinity towards HIV-1 reverse transcriptase enzyme. This is also an impurity found in Nevirapine (N391275).

공급사18 곳

国药集团化学试剂有限公司86-21-63210123 · [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]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

연결된 노트

불러오는 중…