9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

HCID 598875CAS 27387-31-1

기본 정보

표준 SMILES: Cn1c2c(c3ccccc31)C(=O)CCC2
InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N
분자식: C13H13NO
평균 분자량: 199.25 g/mol
단동위원소 질량: 199.09971404

이름 및 식별자

우선 이름: 9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
IUPAC: 9-methyl-2,3-dihydro-1H-carbazol-4-one
영어명: 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one
분자식: C13H13NO
분자량: 199.25

이름 및 동의어

27387-31-19-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOL-4-ONE4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-267IW42T7ZDTXSID30181811Ondansetron hydrochloride dihydrate specified impurity C [EP]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY C [EP IMPURITY]ONDANSETRON HYDROCHLORIDE DIHYDRATE IMPURITY C (EP IMPURITY)RefChem:549430DTXCID70104302

이름 더 보기

N-MethylcarbazoloneONDANSETRON EP IMP COndansetron Impurity C1,2,3,9-Tetrahydro-9-Methyl-4HOndansetron Related CoMpound COndansetron impurity C (PhEur)1,2,3,4-tetrahydro-4-oxocarbazolt1,2,3,9-TETRAHYDRO-4-OXO-CARBAZOLEOndansetron USP Related Compound C

Ondansetron hydrochloride dihydrate specified impurity C608-096-11,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE1,2,3,4-Tetrahydro-9-methylcarbazol-4-one9-methyl-2,3-dihydro-1H-carbazol-4-oneOndansetron EP Impurity CMFCD00173748Maybridge1_001957

데이터베이스 식별자

CAS: 27387-31-1
PubChem CID: 598875
DTXSID: DTXSID30181811
UNII: 267IW42T7Z
EC Number: 608-096-1
Nikkaji: J885.804G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 199 to · 199.0 to 203.0 °C
끓는 점: 383.5 · 383.5±11.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
물리적 상태: solid
색상: 흰색에서 밝은 노란색
BRN: 153862 · 153862
주요 응용: 의약품(소분자)
InChI: InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C2=C1CCCC2=O

화학적 성질

1,2,3,4-Tetrahydro-9-methylcarbazol-4-one is Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (93%)

안전 데이터

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933998090
risk_code: 36/37/38-52/53-25
hazard_code: Xi,T
safety_code: 22-24/25-61-45
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도1,2,3,4-Tetrahydro-9-methylcarbazol-4-one is used in the preparation of 5-HT3 modulators useful in the treatment and prevention of 5-HT3 receptor-mediated diseases. 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one is an impurity of Ondansetron (O655000).