구바신수산화물

Guvacine Hydrochloride

HCID 11957555

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6027-91-4
표준 SMILES: Cl.O=C(O)C1=CCCNC1
InChIKey: FGNUNVVTHHKDAM-UHFFFAOYSA-N
분자식: C6H10ClNO2
평균 분자량: 163.6 g/mol
단동위원소 질량: 163.0400063

이름 및 식별자

우선 이름: Guvacine Hydrochloride
IUPAC: 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
현지명: 구바신수산화물
영어명: Guvacine hydrochloride
분자식: C6H10ClNO2
분자량: 163.6021

이름 및 동의어

Guvacine hydrochlorideRefChem:4110326027-91-41,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochlorideGuvacine HClMFCD000551911,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride1,2,3,6-Tetrahydropyridine-5-carboxylic acid hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, hydrochloride (1:1)MLS000859975

이름 더 보기

구바신수산화물1,2,5,6-Tetrahydro-Norareca alkaloid hydrochlorideGUVACINE HYDROCHLORIDE >96% \ GABA UPTAKGuvacine hydrochloride >=97% (NMR), solid3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, hydrochloride

SR-01000075614SMR000326834SPECTRUM1502126orb1299711SCHEMBL1057880CHEMBL1256362DTXSID801017446GLXC-07157

데이터베이스 식별자

CAS: 6027-91-4
PubChem CID: 11957555
DTXSID: DTXSID801017446
ChEMBL: CHEMBL1256362
EC Number: 637-422-5

물성

구조 계산 물성

극성 표면적: 49.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

Solubility>24.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 316 °C · 316 °C (decomp)
저장 조건: Inert atmosphere,Room Temperature
용해도: 2 O: · H2O: 용해성
물리적 상태: 고체
색상: 하얀색
수용성: 2 O: · H2O: solubleethanol: slightly soluble
InChI: InChI=1S/C6H9NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H
InChIKey: FGNUNVVTHHKDAM-UHFFFAOYSA-N
SMILES: C1(C(=O)O)CNCCC=1.[H]Cl

화학적 성질

Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Guvacine Hydrochloride is a GABA uptake inhibitor and it is used for the treatment of neurodegenerative diseases.

공급사86 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

陕西科贝莱药物研发有限公司13119135307 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

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