N-[(3-endo)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1)

HCID 131700173CAS 141136-01-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cl.Cn1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3)c2ccccc21
InChIKey
BPROKMWVNUWVSC-LUNMCBQDSA-N
분자식
C17H23ClN4O
평균 분자량
334.8 g/mol

이름 및 식별자

우선 이름
N-[(3-endo)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1)
IUPAC
N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide;hydrochloride
영어명
N-[(1R,3r,5S)-9-azabicyclo[3.3.1]non-3-yl]-1-Methyl-1H-indazole-3-carboxaMide hydrochloride
분자식
C17H22N4O.ClH
분자량
334.84

이름 및 동의어

141136-01-8N-((3-endo)-9-Azabicyclo(3.3.1)non-3-yl)-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1)N-[(3-endo)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochloride (1:1)RefChem:822975111-034-1N-[(1R,3R,5S)-9-Azabicyclo[3.3.1]non-3-yl]-1-methyl-1H-indazole-3-carboxamide hydrochlorideN-[(1S,5R)-9-Azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide;hydrochloride1-Methyl-N-[(3-endo)-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide9-Desmethyl endo-Granisetron HydrochlorideBPROKMWVNUWVSC-KOQCZNHOSA-NGranisetron EP Impurity C HydrochlorideN-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-1-methylindazole-3-carboxamide;hydrochloride
이름 더 보기
Granisetron Related CoMpound CNitroxynil Impurity 4Granisetron EP ImpurityGranisetron Impurity C HClGranisetron USP Related Compound CN-Demethyl-endo-granisetron hydrochlorideGranisetron impurity C (hydrochloride salt)Granisetron Impurity 3 Hydrochloride(Granisetron EP Impurity C Hydrochloride)

데이터베이스 식별자

CAS
141136-01-8
PubChem CID
131700173
EC Number
111-034-1

물성

구조 계산 물성

극성 표면적
59 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
23

물리화학적 성질

녹는점
150 °C · >150°C (dec.)
저장 조건
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
흰색에서 황백색까지
안정성
흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호
2933399090

화학 및 산업

응용 분야

용도9-Desmethyl endo-Granisetron hydrochloride (Granisetron USP Related Compound C) is an impurity in the synthesis of Granisetron HCl (G780000), a specific serotonin (5HT3) receptor antagonist. Used as an antiemetic.

공급사35 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

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