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기본 정보
- CAS
1501-84-4- 표준 SMILES
CC(N)C12CC3CC(CC(C3)C1)C2.Cl- InChIKey
OZBDFBJXRJWNAV-UHFFFAOYSA-N- 분자식
- C12H22ClN
- 평균 분자량
- 215.76 g/mol
- 단동위원소 질량
- 215.14407738
개요
Rimantadine hydrochloride is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Rimantadine Hydrochloride
- IUPAC
- 1-(1-adamantyl)ethanamine;hydrochloride
이름 및 동의어
Rimantadine hydrochloride1501-84-4FlumadineRimantadine HCLMeradanealpha-Methyl-1-adamantanemethylamine hydrochlorideEXP 1261-(1-Aminoethyl)adamantane hydrochlorideMeradanJP 61DTXSID1047813EXP-126
이름 더 보기
JEI07OOS8YNSC-206764Adamantane, 1-(1-aminoethyl)-, hydrochlorideDTXCID3027790NSC206764RefChem:55983Hydrochloride, Rimantadine1-(1-ADAMANTYL)ETHYLAMINE HYDROCHLORIDE
데이터베이스 식별자
- CAS
1501-84-4- PubChem CID
- 15165
- DTXSID
DTXSID1047813- ChEMBL
CHEMBL1200355、CHEMBL535396- ChEBI
CHEBI:8865- UNII
- JEI07OOS8Y
- EC Number
- 604-725-9、934-821-9
물성
구조 계산 물성보충 중
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 180
실험 및 물리화학적 성질
Solubility
>32.4 [ug/mL] (The mean of the results at pH 7.4)
>32.4 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section146.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Rimantadine hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
화학 및 산업
약리 정보
FDA Pharmacological Classification
RIMANTADINE HYDROCHLORIDE
M2 Protein Inhibitors [MoA]; Influenza A M2 Protein Inhibitor [EPC]
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that inhibit cell production of DNA or RNA.
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