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野百合碱 | 315-22-0

野百合碱
Monocrotaline
315-22-0
C16H23NO6
325.36
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:野百合碱结构式
24892326
野百合碱价格
简介
Monocrotaline是从猪屎豆植物的种子提取的吡咯里西啶生物碱,用于在啮齿动物中诱导肺动脉高血压。
名称和标识符
MDL MFCD00084656
InChIKey QVCMHGGNRFRMAD-XFGHUUIASA-N
Inchi InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12?,15+,16-/m0/s1
SMILES O=C(O[C@]1([H])CCN2[C@]1([H])C(CO3)=CC2)[C@H](C)[C@@](C)(O)[C@@](C)(O)C3=O
别名信息
- 中文别名 -
  • 野百合碱
  • 单响尾蛇毒蛋白
  • 野百合碱(标准品)
  • 野百合碱Crotaline
  • 大叶猪尿青碱
  • 大叶猪屎青碱
  • 可洛他林
  • 农吉利甲素
  • 农吉利碱
  • 响尾蛇毒蛋白
  • 野百合碱 ,单响尾蛇毒蛋白
  • 野百合碱(农吉利甲素,农吉利碱,猪屎豆碱,大叶猪尿青碱,单猪屎豆碱,可洛他林)
  • 猪屎豆碱
- 英文别名 -
  • Monocrotaline
  • Crotaline
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione,4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-,(3R,4R,5R,13aR,13bR)-
  • MONOCROTALIN(CROTALIN)(RG)
  • MONOCROTALIN(CROTALIN)(RG) PrintBack
  • Monocrotaline​
  • A 6080
  • Bulbus Lilii
  • CROTALIN
  • Crotaline,Monocrotaline
  • Monccrotalire
  • MONOCRATALINE
  • MONOCROTALIN
  • BPBio1_000558
  • SR-01000838886
  • (2,3,4-gh)pyrrolizine-2,6(3H)-dione, (4,5,8,10,12,13,13a,13b)-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-(1,6)dioxacycloundecino-
  • Monocrotaline, analytical standard
  • Prestwick1_000603
  • (3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • NCGC00262539-03
  • BSPBio_000506
  • KBioSS_001704
  • HMS2235J12
  • NCI-C56462
  • MONOCROTALINE [IARC]
  • Spectrum4_001057
  • KBio2_001704
  • AC-34918
  • CCRIS 416
  • Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate
  • Tox21_302874
  • UNII-73077K8HYV
  • (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
  • AKOS032962048
  • monocrotaline
  • SR-01000838886-3
  • KBio2_006840
  • 73077K8HYV
  • SR-01000838886-4
  • 2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,10,12,13,13A,13B-OCTAHYDRO-4,5-DIHYDROXY-3,4,5-TRIMETHYL-, (3R-(3R*,4R*,5R*,13AR*,13BR*))-
  • (13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione
  • NCGC00179538-03
  • NSC-28693
  • MONOCROTALINE [HSDB]
  • KBio2_004272
  • NCGC00259060-01
  • 14,19-Dihydro-12,13-dihydroxy(13-alpha,14-alpha)-20-norcrotalanan-11,15-dione
  • CHEMBL521035
  • Monocrotalin
  • HMS1921P04
  • MFCD00084656
  • SPECTRUM1502252
  • Tox21_112094
  • HMS2096J08
  • 315-22-0
  • HSDB 3513
  • SMR001233251
  • 4-27-00-06660 (Beilstein Handbook Reference)
  • DTXCID50902
  • MONOCROTALINE [MI]
  • JACS 72: 158 (1950)
  • 2H-(1,6)Dioxacycloundecino(2,3,4-gh)pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-
  • KBio1_000959
  • MEGxp0_001899
  • 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)-
  • KBioGR_001354
  • CAS-315-22-0
  • Spectrum_001224
  • HMS1569J08
  • MLS002153902
  • Prestwick_338
  • NSC 28693
  • (-)-Monocrotaline
  • s3812
  • (3R,4R,5R,13aR,13bR)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • NCGC00179538-01
  • DTXSID9020902
  • NCGC00256518-01
  • Prestwick0_000603
  • HY-N0750
  • IDI1_000959
  • BRD-K65508953-001-08-9
  • (3R,4R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • Spectrum2_000906
  • Tox21_112094_1
  • AKOS015969712
  • Prestwick2_000603
  • BRN 0048732
  • SDCCGMLS-0066675.P001
  • SCHEMBL164486
  • 14,19-Dihydro-12,13-dihydroxy-20-norcrotolanan-11,15-dione
  • CCG-39621
  • ACon0_000305
  • KBio3_002014
  • Prestwick3_000603
  • 109525-74-8
  • rel-(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • Spectrum3_000947
  • HMS502P21
  • SPBio_002725
  • DivK1c_000959
  • FS-5652
  • Q27107379
  • 12-beta,13-beta-Dihydroxy-12-alpha,13-alpha,14-alpha-trimethylcrotal-1-enine
  • CHEBI:6980
  • CS-6164
  • 1ST14173
  • Q-100395
  • NCGC00179538-02
  • NINDS_000959
  • (1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0??,??]hexadec-10-ene-3,7-dione
  • SPBio_000752
  • Spectrum5_001233
  • BRD-K65508953-001-05-5
  • BDBM50480309
  • NCGC00164256-01
  • ACon1_000179
  • 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13alpha,14alpha)-
  • Tox21_201509
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-
  • 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine, 20-norcrotalanan-11,15-dione deriv.
  • Oprea1_734543
  • LS-14523
  • 14,19-Dihydro-12,13-dihydroxy(13.alpha.,14.alpha.)-20-norcrotalanan-11,15-dione
  • A856086
  • (2,3,4-gh)pyrrolizine-2,6(3H)-dione,(4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-(1,6)dioxacycloundecino-
  • 4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione #
  • NS00015471
  • 14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione, 9CI
  • CHEBI:125403
  • QVCMHGGNRFRMAD-UHFFFAOYSA-N
  • BCP04181
  • Q27215982
  • 4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione
  • CHEMBL2134902
  • 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13.alpha.,14.alpha.)-
  • 12.beta.,13.beta.-Dihydroxy-12.alpha.,13.alpha.,14.alpha.-trimethylcrotal-1-enine
  • (6-CHLORO-IMIDAZO[1,2-A]PYRIDIN-2-YL)-ACETICACID
  • DTXSID20859330
  • LSM-36888
  • A 6080
  • A-6080
  • A6080
  • SMR001548694
  • (13-.alpha.,14-.alpha.)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione
  • MLS002639247
  • Testosterone oenanthate
物化性质
实验特性
LogP -0.45470
PSA 96.30000
Merck 13,6274
折射率 1.5500 (estimate)
沸点 463.55°C (rough estimate)
熔点 204 °C (dec.) (lit.)
蒸气压 7.5X10-13 mm Hg @ 25 °C /Estimated/
闪点 278.7°C
溶解度 Readily sol in water /Monocrotaline hydrochloride/
颜色与性状 White cryst.
溶解性 不可用
敏感性 光敏感
比旋光度 -54.8 º (c=5 in chloroform)
密度 1.1512 (rough estimate)
计算特性
精确分子量 325.15300
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 0
同位素质量 325.15253745 g/mol
重原子数量 23
复杂度 575
同位素原子数量 0
确定原子立构中心数量 5
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) -0.7
拓扑分子极性表面积 96.3Ų
分子量 325.36
生产方法和用途
用途 用于生化研究。医药(抗肿瘤药)。
专业数据库参考
PubChemId 24892326
参考资料
Beilstein 48732
化合物详情(旧版)

物理化学性质

产品用途:含量测定

应用领域

医药化工





上下游产品信息




化学品安全说明书(MSDS)



储运特性

干燥、密闭、避光、低温(0-10

野百合碱的质谱图

野百合碱/315-22-0的质谱图

扩展阅读
野百合碱 http://www.biopurify.cn/Phytochemicals/Crotaline.html
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