L-에리트로-메틸페니데이트염산염
methyl (S)-phenyl((R)-piperidin-2-yl)acetate
기본 정보
- CAS
40431-63-8- 표준 SMILES
COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1- InChIKey
DUGOZIWVEXMGBE-OLZOCXBDSA-N- 분자식
- C14H19NO2
- 평균 분자량
- 233.31 g/mol
개요
Methyl (S)-phenyl[(R)-piperidin-2-yl]acetate is a methyl phenyl(piperidin-2-yl)acetate that has S configuration alpha to the carbonyl group and R configuration at the stereocentre bearing the nitrogen. It is an enantiomer of a methyl (R)-phenyl[(S)-piperidin-2-yl]acetate.
이름 및 식별자
- 우선 이름
- methyl (S)-phenyl((R)-piperidin-2-yl)acetate
- IUPAC
- methyl (2S)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
- 현지명
- L-에리트로-메틸페니데이트염산염
- 영어명
- L-erythro-Methylphenidate Hydrochloride
- 분자식
- C14H19NO2
- 분자량
- 233.31
이름 및 동의어
methyl (S)-phenyl[(R)-piperidin-2-yl]acetateCHEBI:51861methyl (2S)-phenyl[(2R)-piperidin-2-yl]acetatemethyl (S)-phenyl((R)-piperidin-2-yl)acetatemethyl (2S)-phenyl((2R)-piperidin-2-yl)acetateRefChem:1089234Erythro-meridil38TTS815DG(+/-)-Erythro-methylphenidateUNII-38TTS815DG20748-12-3Methylphenidate, (+/-)-erythro
이름 더 보기
L-에리트로-메틸페니데이트염산염(αS,2R)-L-erythro-Methylphenidate HydrochlorideMethylphenidate Hydrochloride Erythro Isomer2-Piperidineacetic acid, α-phenyl-, methyl ester, (αS,2R)-(2S,2'R)-(-)-threo-Methyl α-Phenyl-α-(2-piperidyl)acetate Hydrochloride
Erythro-methyl 2-phenyl-2-(2-piperidyl)acetatethreo-Methylphenidate2-Piperidineacetic acid, alpha-phenyl-, methyl ester, (R*,S*)-(+/-)-dl-threo-Methylphenidatethreo methylphenidateerythro methyphenidatemethyl (2S)-2-phenyl-2-[(2R)-piperidin-2-yl]acetatedi-threo-methylphenidate
데이터베이스 식별자
- CAS
40431-63-8- ChEBI
CHEBI:51861- UNII
- 38TTS815DG
- Nikkaji
- J692.186H
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 249
물리화학적 성질
- 끓는 점
- 327.6 · 327.6±17.0 °C(Predicted)
- 밀도
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.51 · 9.51±0.10(Predicted)
화학 및 산업
응용 분야
용도Controlled substance. The erythro isomers have been shown to exhibit very little therapeutic effect and contribute mainly to the toxic hypertensive effects of this drug.
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