| 6035-40-1
6035-40-1
C22H23NO7
413.42052
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: 结构式
名称和标识符
InChIKey |
AKNNEGZIBPJZJG-MSOLQXFVSA-N |
Inchi |
InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 |
SMILES |
CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
别名信息
- 英文别名 -
- ( -)-α-Narcotine
- (+-)-narcotine
- (RS)-1-(Pentafluorphenyl)ethanol
- (RS)-6,7-dimethoxy-3-((SR)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one
- 1-(1-Hydroxyethyl)-2,3,4,5,6-pentafluorobenzene
- 1-(2',3',4',5',6'-pentafluorophenyl)ethanol
- 1-(2,3,4,5,6-Pentafluorophenyl)-ethanol
- 1-(PENTAFLUOROPHENYL)ETHANOL, 97
- 1-(perfluorophenyl)ethanol
- 2-(Pentafluorophenyl)ethanol
- Phthalide,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
- BSPBio_000346
- NCGC00023230-05
- BDBM50424716
- 8V32U4AOQU
- NSC121869
- CS-5115
- .beta.-Narcotine
- MLS000069475
- Opianin
- AKOS000278036
- NSC-121869
- Prestwick_959
- NOSCAPINE [USP-RS]
- (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
- Longatin
- NSC 96350
- DB06174
- EN300-24402818
- NCGC00023230-14
- NOSCAPINE [HSDB]
- 6035-40-1
- O-Methylnarcotoline
- NOSCAPINE [INN]
- Tox21_110413_1
- 8-Methoxyhydrastin
- Noscapal
- HSDB 3372
- Noscapin
- GTPL10212
- Key-tusscapine
- NCGC00023230-08
- Narcosine
- Noscapalin
- Prestwick0_000563
- Prestwick2_000563
- NOSCAPINUM [WHO-IP LATIN]
- (S,R)-Noscapine
- Noscapine [USP:INN:BAN:JAN]
- alpha-Narcotine
- Noscapine (narcotine)
- NOSCAPINE [MI]
- NOSCAPINE [WHO-IP]
- (3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-rel-
- NOSCAPINE [JAN]
- (-)-alpha-narcotine
- NS00117949
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl), (S-(R*,S*))-
- Noscapinum [INN-Latin]
- HMS2096B08
- NCGC00023230-04
- Nicolane
- AC-20272
- NCGC00023230-02
- (-)-Narcotine
- 4-27-00-06838 (Beilstein Handbook Reference)
- Terbenol
- Noscapinum
- Capval
- Hederix (free base)
- Vadebex
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-
- Narkotin
- NCGC00023230-07
- DTXCID303385
- SPBio_002565
- NCI60_004322
- NSC5366
- .alpha.-Narcotine
- Tocris-1697
- (3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone
- NSC 5366
- DTXSID4023385
- 1-.alpha.-Narcotine
- Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-
- L-alpha-Noscapine
- L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline
- EINECS 204-899-2
- NSC-5366
- 6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one, (S-(R*,S*))- #
- Longactin
- 128-62-1
- CBMicro_048259
- BPBio1_000382
- D01036
- NOSCAPINE [USP MONOGRAPH]
- BRD-K89237706-001-03-8
- noscapine
- NOSCAPINE [WHO-DD]
- DTXSID901032089
- (-)-.alpha.-Narcotine
- (+-)-alpha-Narcotine
- Narcotinum
- NCGC00023230-10
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
- UNII-A4C6WE7BZN
- C09592
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-(+-)-
- Narcotine, (+-)-
- Coscopin (VAN)
- Noscapine 1.0 mg/ml in Acetonitrile
- NOSCAPINE [EP MONOGRAPH]
- Noskapin
- Gnoscopine
- (3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one
- CAS-128-62-1
- (+/-)-Noscapine
- Nipaxon
- Q60998699
- Coscotabs
- Noscapina
- Lopac0_000840
- Noscopine
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-
- L-.alpha.-Narcotine
- CCRIS 9304
- AC-33191
- HY-13716
- NCGC00016388-01
- NARCOTINE
- Nectadon
- alpha-Gnoscopine
- MFCD00069316
- Noscapina [INN-Spanish]
- Prestwick1_000563
- .alpha.-Gnoscopine
- Narcotine alkaloid
- NOSCAPINE [MART.]
- (-)-alpha-Norcotine
- (S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one
- Noscapine dl-form
- MLS001060855
- SCHEMBL4559
- VS-03291
- SDCCGSBI-0048054.P004
- CHEMBL364713
- CCG-204096
- Narcotussin
- L-alpha-Narcotine
- Noscapine (JP15/USP/INN)
- A4C6WE7BZN
- NOSCAPINE DL-FORM [MI]
- NARCOTINUM [HPUS]
- UNII-8V32U4AOQU
- (-)-noscapine
- SR-01000075529-6
- Opianine
- (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
- [S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-Isobenzofuranone
- Tusscapine
- (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one
- Narcompren
- Methoxyhydrastine
- dl-Narcotine
- (-)-a-Narcotine
- W-201012
- NOSCAPINE, (+/-)-
- BRN 0099933
- HMS2269P05
- Prestwick3_000563
- 5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline
- NSC-96350
- BIM-0048054.P001
- CHEBI:73237
- Noscapine, United States Pharmacopeia (USP) Reference Standard
- Coscopin
- 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-
- (-)-.alpha.-Norcotine
- Noscapine (JP17/USP/INN)
- Opian
- HMS1569B08
- Noscapine, European Pharmacopoeia (EP) Reference Standard
- Lyobex
- (+/-)-.ALPHA.-NARCOTINE
- WLN: T C566 DO FO KN EH & & TJ HO1 K1 J-DT56 BVO DHJ HO1 IO1
- (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one
- (S,R)-Noscapine, 97%
- 1(3H)-Isobenzofuranone,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
- (-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid
- (+-)-Noscapine
- Noscapine (TN)
- Tox21_110413
- Narcotin
- SMR000059119
- 08N
物化性质
实验特性
LogP |
2.81970 |
PSA |
75.69 |
沸点 |
565.3°Cat760mmHg |
熔点 |
174-176℃ |
闪点 |
295.7°C |
颜色与性状 |
结晶固体 |
比旋光度 |
-200 º (C=1 IN CHLOROFORM) |
密度 |
1.332 |
计算特性
精确分子量 |
413.14749 |
氢键供体数量 |
0 |
氢键受体数量 |
8 |
可旋转化学键数量 |
4 |
同位素质量 |
413.14745207g/mol |
重原子数量 |
30 |
复杂度 |
647 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
2 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2.7 |
拓扑分子极性表面积 |
75.7Ų |
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