기본 정보
- CAS
134234-12-1- 표준 SMILES
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1- InChIKey
QEMSVZNTSXPFJA-HNAYVOBHSA-N- 분자식
- C20H25NO3
- 평균 분자량
- 327.4 g/mol
- 단동위원소 질량
- 327.18344366
이름 및 식별자
- 우선 이름
- Traxoprodil
- IUPAC
- 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
- 영어명
- (1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-PROPANOL
- 분자식
- C20H25NO3
- 분자량
- 327.42
이름 및 동의어
Traxoprodil134234-12-1CP-101606UTC046R5HMDTXSID901586051-Piperidineethanol, 4-hydroxy-alpha-(4-hydroxyphenyl)-beta-methyl-4-phenyl-, (S-(R*,R*))-traxoprodilumRefChem:190698DTXCID6081096(Alpha-S,Beta-S)-4-Hydroxy-Alpha-(P-Hydroxyphenyl)-Beta-Methyl-4-Phenyl-1-Piperidineethanol1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)-4-phenylpiperidin-4-olTraxoprodil [INN]
이름 더 보기
CP-101CP 981131-((1S,2S)propan-2-yl)(+)-CP 101,606Traxoprodil - Bio-X ?CP-101,606 >=98% (HPLC)
CP-101,6061-[(1s,2s)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-olCP 101606(1S,2S)-1-(4-HYDROXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDINO)-1-PROPANOLMFCD00926469CHEMBL17350CP101606traxoprodil(cp-101,606)
데이터베이스 식별자
- CAS
134234-12-1- PubChem CID
- 219101
- DTXSID
DTXSID90158605- ChEMBL
CHEMBL17350- UNII
- UTC046R5HM
- EC Number
- 694-572-4
- Nikkaji
- J668.731H
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 63.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 380
물리화학적 성질
- 끓는 점
- 534.4 · 534.4±50.0 °C(Predicted)
- 밀도
- 1.228 · 1.228
- 저장 조건
- 2 · 2-8°C
- 용해도
- 35 mg/mL · DMSO: ≥35mg/mL
- 산도 계수 (pKa)
- 9.99 · 9.99±0.26(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 황갈색까지
- InChI
- 1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
- InChIKey
- QEMSVZNTSXPFJA-HNAYVOBHSA-N
- SMILES
- C[C@@H]([C@@H](O)c1ccc(O)cc1)N2CCC(O)(CC2)c3ccccc3
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesAcute Tox. 3 (100%)；Eye Irrit. 2 (100%)；Aquatic Acute 1 (100%)
안전 데이터
- wgk
- 3
- ridadr
- 2811
- risk_code
- 25-36-50
- hazard_code
- T,N
- safety_code
- 26-45-61
- 포장분류
- Ⅲ
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesTraxoprodil has known human metabolites that include 4-[1-Hydroxy-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]benzene-1,2-diol.
응용 분야
용도Traxoprodil (CP101,606) is a potent and selective NMDA antagonist and protect hippocampal neurons with an IC50 of 10 nM.
일반 설명CP-101,606 (Traxoprodil) is a substituted 4-phenylpiperidine and is localized in the fore brain neurons.
공급사63 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
淄博彬莱医药科技有限公司15963310191
江苏南创化学与生命健康研究院有限公司15720605021
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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