L-threo-Methylphenidate hydrochloride

HCID 45259401
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기본 정보

CAS
23655-65-4
표준 SMILES
COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1.Cl
InChIKey
JUMYIBMBTDDLNG-QNTKWALQSA-N
분자식
C14H20ClNO2
평균 분자량
269.77 g/mol
단동위원소 질량
269.1182566

이름 및 식별자

우선 이름
L-threo-Methylphenidate hydrochloride
IUPAC
methyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

이름 및 동의어

L-threo-Methylphenidate hydrochloride29419-95-2dl-threo-Methylphenidate HydrochlorideCHEMBL542556L-threo-Methylphenidate Hydrochloride (1.0mg/ml in Methanol)rac-threo-Methylphenidate Hydrochloride (1.0mg/ml in Methanol)SCHEMBL29870847JUMYIBMBTDDLNG-QNTKWALQSA-Nthreo methylphenidate hydrochlorideDTXSID001382865di-threo-methylphenidate hydrochloridedl-threo methylphenidate hydrochloride
이름 더 보기
AKOS024456795PD040905L-threo-Methylphenidate hydrochloride, solidmethyl (2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate;hydrochloride

데이터베이스 식별자

CAS
23655-65-4、29419-95-2
PubChem CID
45259401
DTXSID
DTXSID001382865
ChEMBL
CHEMBL542556
EC Number
689-627-4

물성

구조 계산 물성

극성 표면적
38.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
18

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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. 4 (100%)

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1건
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