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125-73-5

(右羥嗎喃,Morphinan-3-ol,17-methyl-, (9a,13a,14a)-)
右羥嗎喃結構式圖片|125-73-5結構式圖片
右羥嗎喃
Morphinan-3-ol,17-methyl-, (9a,13a,14a)-
125-73-5
C21H29NO7
407.457466840744
如需查看該化合物的詳細結構式,mol文件,smile,InChi 請點(diǎn)擊:右羥嗎喃結構式
右羥嗎喃MOL
5360697

名稱(chēng)和標識符

InChIKeyRWTWIZDKEIWLKQ-UHFFFAOYSA-N
InchiInChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
SMILESOC(C(C(C(=O)O)O)O)=O.OC1C=CC2=C(C34CCN(C)C(C2)C3CCCC4)C=1

別名信息

- 中文別名 -

  • 右羥嗎喃
  • 2-溴-2',3',4',5',6'-五氟苯乙酮
  • 2-溴-2,3,4,5,6-五氟苯乙酮
  • 右啡烷-D3
  • 右美沙芬EP雜質(zhì)B
  • 右羥嗎喃
  • 右啡烷
  • 右美沙芬雜質(zhì)B

- 英文別名 -

  • Morphinan-3-ol,17-methyl-, (9a,13a,14a)-
  • Dextrorphan
  • DEXTRORPHAN D-TARTRATE
  • DEXTRORPHAN-D -TARTRATE
  • (+)-3-hydroxy-N-methylmorphinan
  • (+)-N-Methylmorphinan-3-ol
  • D-3-hydroxy-N-methylmorphinan
  • Dextro-Dromoran
  • Dextrorphane
  • d-Form of levorphanol
  • d-Levorphanol
  • O-Demethyl dextromethorphan
  • Racemorphan
  • Ro 1-6794
  • 17-Methylmorphinan-3-ol
  • DextroMethorphan IMpurity B
  • (+)-dextrorphan
  • 9.alpha.,13.alpha.,14.alpha.-Morphinan-3-ol, 17-methyl-
  • 04B7QNO9WS
  • DEXTRORPHAN [MART.]
  • Dextrorphan, 1mg/ml in Methanol
  • Morphinan-3-ol, 17-methyl-, (9alpha,13alpha,14alpha)-
  • (+)-3-Hydroxy-N-methylmorphinan
  • Dextrorphane [INN-French]
  • DEXTRORPHAN [WHO-DD]
  • Destrorfano [DCIT]
  • DTXCID601436721
  • (+-)-17-Methylmorphinan-3-ol
  • (4bR,8aS,9R)-11-Methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-3-ol
  • Dextrorphane (INN-French)
  • Destrorfano
  • Destrorfano
  • 9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-
  • 9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-
  • BDBM50001000
  • BDBM50001000
  • Levo-Dromoran (Salt/Mix)
  • Levo-Dromoran (Salt/Mix)
  • 2H-10,4a-(Iminoethano)phenanthren-6-ol, 1,3,4,9,10,10a-hexahydro-11-methyl-, (+)-
  • 2H-10,4a-(Iminoethano)phenanthren-6-ol, 1,3,4,9,10,10a-hexahydro-11-methyl-, (+)-
  • CHEBI:29133
  • CHEBI:29133
  • Dextrorphanum (INN-Latin)
  • Dextrorphanum (INN-Latin)
  • 17-METHYL-9.ALPHA.,13.ALPHA.,14.ALPHA.-MORPHINAN-3-OL
  • 17-METHYL-9.ALPHA.,13.ALPHA.,14.ALPHA.-MORPHINAN-3-OL
  • DEXTRORPHAN
  • DEXTRORPHAN
  • DEXTROMETHORPHAN HYDROBROMIDE IMPURITY B (EP IMPURITY)
  • DEXTROMETHORPHAN HYDROBROMIDE IMPURITY B (EP IMPURITY)
  • 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol
  • 17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol
  • DEXTROMETHORPHAN HYDROBROMIDE IMPURITY B [EP IMPURITY]
  • DEXTROMETHORPHAN HYDROBROMIDE IMPURITY B [EP IMPURITY]
  • Levorphanol d-form
  • Levorphanol d-form
  • Lemoran (Salt/Mix)
  • Lemoran (Salt/Mix)
  • (+)-cis-1,3,4,9,10,10a-Hexahydro-11-methyl-2H-10,4a-iminoethanophenanthren-6-ol
  • (+)-cis-1,3,4,9,10,10a-Hexahydro-11-methyl-2H-10,4a-iminoethanophenanthren-6-ol
  • d-3-Hydroxy-N-methylmorphinan
  • d-3-Hydroxy-N-methylmorphinan
  • CHEMBL1254766
  • CHEMBL1254766
  • BRN 0088093
  • BRN 0088093
  • Q659468
  • Q659468
  • SCHEMBL115577
  • Dextrorfano
  • SCHEMBL115577
  • Dextrorfano (INN-Spanish)
  • Dextrorfano
  • LEVORPHANOL D-FORM [MI]
  • Dextrorfano (INN-Spanish)
  • DTXSID301014178
  • LEVORPHANOL D-FORM [MI]
  • (1R,9R,10S)-17-Methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
  • DEXTRORPHAN [INN]
  • DTXSID301014178
  • DEXTRORPHAN (MART.)
  • (1R,9R,10S)-17-Methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
  • Ent-17-methylmorphinan-3-ol
  • GTPL9052
  • DEXTRORPHAN [INN]
  • 9alpha,13alpha,14alpha-Morphinan-3-ol, 17-methyl-
  • DEXTRORPHAN (MART.)
  • EINECS 204-754-3
  • MORPHINAN-3-OL, 17-METHYL-, (9.ALPHA.,13.ALPHA.,14.ALPHA.) -
  • Ent-17-methylmorphinan-3-ol
  • 125-73-5
  • GTPL9052
  • RO-1-6794
  • 9alpha,13alpha,14alpha-Morphinan-3-ol, 17-methyl-
  • Morphinan-3-ol, 17-methyl-, (9.alpha.,13.alpha.,14.alpha.)-
  • EINECS 204-754-3
  • DB14682
  • D-levorphanol
  • MORPHINAN-3-OL, 17-METHYL-, (9.ALPHA.,13.ALPHA.,14.ALPHA.) -
  • Dextrorphanum
  • 125-73-5
  • NS00009547
  • Dextrorphanum [INN-Latin]
  • RO-1-6794
  • PDSP2_001522
  • Morphinan-3-ol, 17-methyl-, (9.alpha.,13.alpha.,14.alpha.)-
  • DEXTROMETHORPHAN_met001
  • DB14682
  • D-levorphanol
  • Dextrorphan [INN:BAN]
  • Dextrorphanum
  • UNII-04B7QNO9WS
  • NS00009547
  • Dextrorfano [INN-Spanish]
  • Dextrorphanum [INN-Latin]
  • 4-21-00-01364 (Beilstein Handbook Reference)
  • PDSP2_001522
  • D-morphan
  • DEXTROMETHORPHAN_met001
  • (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
  • Dextrorphan [INN:BAN]
  • Morphinan, 3-hydroxy-N-methyl, (+)-
  • UNII-04B7QNO9WS
  • Dextrorfano [INN-Spanish]
  • 4-21-00-01364 (Beilstein Handbook Reference)
  • D-morphan
  • (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
  • Morphinan, 3-hydroxy-N-methyl, (+)-

物化性質(zhì)

實(shí)驗特性

LogP0.89570
PSA138.53000
折射率1.5200 (estimate)
沸點(diǎn)400.62°C (rough estimate)
熔點(diǎn)≥195?°C
溶解度saline: soluble(lit.)
顏色與性狀白色類(lèi)白色結晶。
比旋光度D20 +56.3° (c = 3 in abs alcohol)
密度0.9711 (rough estimate)

計算特性

精確分子量407.19400
氫鍵供體數量5
氫鍵受體數量8
可旋轉化學(xué)鍵數量3
同位素質(zhì)量257.177964357g/mol
重原子數量29
復雜度491
同位素原子數量0
確定原子立構中心數量0
不確定原子立構中心數量5
確定化學(xué)鍵立構中心數量0
不確定化學(xué)鍵立構中心數量0
共價(jià)鍵單元數量2
疏水參數計算參考值(XlogP)無(wú)
互變異構體數量3
表面電荷0
拓撲分子極性表面積23.5?2

合成路線(xiàn)

合成路線(xiàn):1 步
反應條件:
參考文獻:
Stereoselective Interaction Between Tetrahydropalmatine Enantiomers and CYP Enzymes in Human Liver Microsomes
Sun, Si-Yuan; Wang, Yu-Qing; Li, Li-Ping; Wang, Lu; Zeng, Su; et al, Chirality, 2013, 25(1), 43-47

相關(guān)文獻

專(zhuān)業(yè)數據庫參考

PubChemId5360697

參考資料

Reaxys RN

化合物詳情(舊版)

SMILES

OC(=O)C(O)C(O)C(O)=O.OC1=CC2C34C(CCCC4)C(N(C)CC3)CC=2C=C1

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WAP 版:125-73-5 | 國際站:125-73-5
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