Gyki-53405

HCID 126756CAS 143691-37-6

기본 정보

표준 SMILES: CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1C)OCO3
InChIKey: JACAAXNEHGBPOQ-UHFFFAOYSA-N
분자식: C19H19N3O3
평균 분자량: 337.4 g/mol
단동위원소 질량: 337.14264148

이름 및 식별자

우선 이름: Gyki-53405
IUPAC: 1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone

이름 및 동의어

Gyki-53405Gyki 53405RefChem:922638143691-37-6LY 2936061-(4-Aminophenyl)-3-acetyl-4-methyl-3,4-dihydro-7,8-methylenedioxy-5H-2,3-benzodiazepine1-[5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanoneEthanone, 1-[5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-7-yl]-GYKI 53774JACAAXNEHGBPOQ-UHFFFAOYSA-NGYKI-53773;LY-300164LY 300165; ent-LY 300164

이름 더 보기

7-Acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepineSCHEMBL118012orb1697025AKOS0305991177H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 7-acetyl-5-(4-aminophenyl)-8,9-dihydro-8-methyl-DB-063491DB-064417NS00122435

데이터베이스 식별자

CAS: 143691-37-6
PubChem CID: 126756
EC Number: 806-210-6
Nikkaji: J660.383A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 77.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 25
형식 전하: 0
복잡도: 544

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.