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腊梅碱 | 595-05-1

腊梅碱结构式图片|595-05-1结构式图片
腊梅碱
Calycanthine
595-05-1
C22H26N4
346.4686
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:腊梅碱结构式
腊梅碱MSDS
5392245
腊梅碱价格
简介
Calycanthine 是从 Psychotria 属中分离出的花萼科生物碱,是一种中枢神经系统毒素,可引起抽搐。
名称和标识符
InChIKey XSYCDVWYEVUDKQ-COPRSSIGSA-N
Inchi 1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20+,21-,22+
SMILES N1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23C4=C([H])C([H])=C([H])C([H])=C4N([H])[C@@]1([H])[C@]12C2=C([H])C([H])=C([H])C([H])=C2N([H])[C@@]3([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]
别名信息
- 中文别名 -
  • 腊梅碱
  • 蜡梅碱
  • 洋臘梅鹼
  • (+)-蜡梅碱
- 英文别名 -
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl-, (4bS,5R,10bS,11R)-
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine,5,6,11,12-tetrahydro-13,18-dimethyl...
  • CALYCANTHINE
  • CALYCANTHINE(P)
  • (-)-(1R,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLIC ACID
  • (+)-(1S,3R)-N-Boc-b-homocycloleucine
  • (1R,3S)-N-boc-1-Aminocyclopentane-3-carboxylicacid(e.e.)
  • (1S,3R)-(+)-3-(BOC-AMIN
  • (1S,3R)-3-amino-N-tert-butyloxycarbonylcyclopentanecarboxylic acid
  • (1S,3R)-3-tert-butoxycarbonylamino-cyclopentanecarboxylic acid
  • (1S,3R)-cyclopentanecarboxylic acid 3-[[(1,1-dimethylethoxy)carbonyl]amino]
  • (1S,3R)-N-Boc-3-aminocyclopentanecarboxylic acid
  • Calycanthin
  • NSC 99016
  • [4bS-(4balpha,5alpha,10balpha,11alpha)]-5,6,11,12-Tetrahydro-13,18-dimethyl-5,10b:11,4b-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
  • (1S)-21,24-Dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,
  • (1S,2R,10R,11S)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4
  • Calycanthine
  • (+)-Calycanthine
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-
  • MLS000728639
  • NSC-99016
  • 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-
  • Q27166918
  • NCI60_042216
  • 5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-
  • CHEBI:95133
  • Prestwick0_000595
  • CHEMBL1981354
  • Prestwick1_000595
  • NSC99016
  • HMS1569H12
  • 5,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-
  • Prestwick2_000595
  • Oprea1_287195
  • LSM-6401
  • XSYCDVWYEVUDKQ-UHFFFAOYSA-N
  • Prestwick_723
  • (1S,2S,10S,11S)-21,24-Dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
  • SPBio_002689
  • HMS2270J12
  • SMR000470815
  • 21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
  • Prestwick3_000595
  • CS-0032443
  • CALYCANTHINE [MI]
  • AB00513866
  • UNII-F62N8QPR7V
  • (4bS,5R,10bS,11R)-13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h]-2,6-naphthyridine
  • MS-25332
  • AKOS040760131
  • NS00042766
  • SCHEMBL893195
  • EINECS 209-857-7
  • 595-05-1
  • (1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)]tetracosa-4,6,8,13,15,17-hexaene
  • (1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene
  • MLS002153896
  • BSPBio_000470
  • HY-N5121
  • BPBio1_000518
  • (4BS,5R,10BS,11R)-5,6,11,12-TETRAHYDRO-13,18-DIMETHYL-5,10B:11,4B-BIS(IMINOETHANO)-DIBENZO(C,H)(2,6)NAPHTHYRIDINE
  • F62N8QPR7V
  • SMR001233245
  • HMS2096H12
  • AC-34463
  • Q27106029
  • HMS2230M13
  • CHEMBL464770
  • 5,10B:11,4B-BIS(IMINOETHANO)DIBENZO(C,H)(2,6)NAPHTHYRIDINE, 5,6,11,12-TETRAHYDRO-13,18-DIMETHYL-, (4BS,5R,10BS,11R)-
  • D-CALYCANTHINE
  • CHEBI:3333
  • BRD-K59851896-001-02-4
物化性质
实验特性
LogP 3.18840
PSA 30.54000
折射率 1.711
沸点 531.8°Cat760mmHg
熔点 245 ºC
闪点 310.3°C
溶解度 微溶 (6.9 g/L) (25 ºC),
颜色与性状 Powder
比旋光度 D18 +684° (c = 1.2 in abs alc)
密度 1.29±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 346.21600
氢键供体数量 2
氢键受体数量 4
可旋转化学键数量 0
同位素质量 346.216
重原子数量 26
复杂度 531
同位素原子数量 0
确定原子立构中心数量 4
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) 3.9
拓扑分子极性表面积 30.5
分子量 346.5
国际标准相关数据
EINECS 209-857-7
相关文献
专业数据库参考
PubChemId 5392245
参考资料
Reaxys RN
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