(+)에페드린반수화물

d-Ephedrine

HCID 9457CAS 321-98-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN[C@H](C)[C@@H](O)c1ccccc1
InChIKey: KWGRBVOPPLSCSI-PSASIEDQSA-N
분자식: C10H15NO
평균 분자량: 165.23 g/mol
단동위원소 질량: 165.1153641

이름 및 식별자

우선 이름: d-Ephedrine
IUPAC: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
현지명: (+)에페드린반수화물
영어명: (+)EPHEDRINE HEMIHYDRATE
분자식: C10H15NO
분자량: 165.23

이름 및 동의어

d-Ephedrine(+)-EphedrineL-(+)-Ephedrine321-98-2(1S,2R)-Ephedrine(1S,2R)-2-(methylamino)-1-phenylpropan-1-olEPHEDRINE, (+)-D-(-)-EphedrineEphedrine, D-(-)-NIOSH/KB065000072087NSY56( inverted exclamation markA)-Ephedrine

이름 더 보기

(+)에페드린반수화물(1s,2r)-(+)-ephedrineEphedrine Impurity 1Ephedrine, (+)- (8CI)D-(+)-EPHEDRINE HEMIHYDRATEKWGRBVOPPLSCSI-PSASIEDQSA-N(1S,2R)-(+)-ephedrine, anhydre1-(S),2-(R)-erythro-(+)-Ephedrine

KB06500000(+)-Ephedrin(+)-(1s,2r)-ephedrineEphedrine DL-form(+)-Ephedrine anhydrousBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-rel-(+-)-Ephedrine2-Methylamino-1-phenylpropan-1-ol

데이터베이스 식별자

CAS: 321-98-2、90-81-3
PubChem CID: 9457
UNII: 03VRY66076、72087NSY56
EC Number: 206-293-3
Nikkaji: J59.191B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 121

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1376；1350；1360；1360；1350；1360；1354；1350；1350；1360；1354

1318.4；1370.9；1357；1362；1367；1397；1398；1400

2185；2195；2205；2213；2217；2225

물리화학적 성질

녹는점: 40 °C · 40°C
끓는 점: 293.09 °C · 293.09°C (rough estimate)
밀도: 1.0203 · 1.0203 (rough estimate)
굴절률: 1.482 · 1.4820 (estimate)
산도 계수 (pKa): 10.139 · 10.139(at 10℃)
EPA: 1 R)-1- · Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)- (321-98-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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

Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Environment tier I assessment；IMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [S-(R*,S*)]-: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-: ACTIVE

응용 분야 · 1건

일반 설명The pharmacological activity of(1R,2S)-D-(-)-ephedrine resembles that of E. The drug actson both α- and β-receptors. Its ability to activate β-receptorsprobably accounted for its earlier use in asthma. It is theclassic example of a sympathomimetic with a mixed mechanismof action.