기본 정보
- CAS
148262-77-5- 표준 SMILES
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1.Cl- InChIKey
IRGWVAWLHXDKIX-PBCQUBLHSA-N- 분자식
- C15H24ClNO2
- 평균 분자량
- 285.81 g/mol
- 단동위원소 질량
- 285.1495567
이름 및 식별자
- 우선 이름
- O-Desmethyl tramadol hydrochloride
- IUPAC
- 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol;hydrochloride
- 현지명
- O-DesMethylTraMadol염산염
- 영어명
- O-DesMethyl TraMadol Hydrochloride
- 분자식
- C15H24ClNO2
- 분자량
- 285.81
이름 및 동의어
O-Desmethyl Tramadol Hydrochloride185453-02-5O-demethyltramadol hydrochlorideXL5VDC061EPhenol, 3-(2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride, cis-Phenol, 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride (1:1), rel-Phenol, 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride, rel-RefChem:202373148262-77-5O-Desmethyltramadol hydrochloride3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol;hydrochlorideO-Desmethyltramadol HCl
이름 더 보기
O-DesMethylTraMadol염산염Tramadol EP Impurity DTramadol EP Impurity D HClTraMadol Hydrochloride IMpurity-D(EP)O-Desmethyl-cis-tramadol (hydrochloride)Tramadol Impurity 4（Tramadol EP Impurity D）O-DesMethyl TraMadol Hydrochloride ImpurityTramadol EP Impurity D HCl ( and Enantiomer)O-Desmethyl-cis-tramadol (hydrochloride) (CRM)(±)-(cis)-O-Desmethyl cis-tramadol hydrochlorideTramadol Hydrochloride Impurity D as Hydrochloride
3-((1R,2R)-2-((Dimethylamino)methyl)-1-hydroxycyclohexyl)phenol hydrochloride3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol HydrochlorideO-Desmethyl-cis-tramadol.HClO-Desmethyl Tramadol Hydrochloride (1.0 mg/mL in Methanol)Phenol, 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride (1:1)(+)-O-Desmethyl Tramadol Hydrochloride (>90%)UNII-XL5VDC061EO-Desmethyl Tramadol Hydrochloride (1.0mg/ml in Acetonitrile)
데이터베이스 식별자
- CAS
148262-77-5、185453-02-5- PubChem CID
- 9838802
- DTXSID
DTXSID601355971- UNII
- XL5VDC061E
- EC Number
- 641-586-3
물성
구조 계산 물성
- 극성 표면적
- 43.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 269
물리화학적 성질
- 녹는점
- 219 · 219-221C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
응용 분야
개요O-Desmethyl-cis-tramadol (hydrochloride) (CRM) (Item No. 18751) is a certified reference material that is structurally categorized as an opioid. It is the main metabolite of cis-tramadol (Item Nos. ISO60149 | 15919). O-Desmethyl-cis-tramadol has ~400-500-fold higher affinity for μ-opioid receptors than the parent compound. However, O-desmethyl-cis-tramadol poorly suppresses the human serotonin transporter, unlike cis-tramadol. This product is intended for research and forensic applications.
용도A metabolite of Tramadol, an analgesic.
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