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Boldin-Chloroform

(+)-Boldine

HCID 10154
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Grundinformationen

CAS
476-70-0
Standard-SMILES
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CCN1C
InChIKey
LZJRNLRASBVRRX-ZDUSSCGKSA-N
Summenformel
C19H21NO4
Durchschnittliche Molmasse
327,4 g/mol
Monoisotopische Masse
327,14705815

Namen und Bezeichner

Bevorzugter Name
(+)-Boldine
IUPAC
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
Lokaler Name
Boldin-Chloroform
Englischer Name
Boldine
Summenformel
C19H21NO4
Molmasse
327.37

Namen und Synonyme

Boldine476-70-0(S)-Boldine(+)-Boldine1,10-Dimethoxy-2,9-dihydroxyaporphineDTXSID408833948I91GE27694H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-NSC-65689RefChem:30175DTXCID801022928
Weitere Namen anzeigen
(s)-ylBOLDINE(RG)Boldine CRS(+)-(s)-boldineex Peumus boldus
207-509-9UniboldinaBoldinBoldine chloroformNSC 65689Boldine (Standard)(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diolMFCD00135040

Datenbank-Bezeichner

CAS
476-70-0
PubChem CID
10154
DTXSID
DTXSID40883394
ChEMBL
CHEMBL388342
ChEBI
CHEBI:3148
UNII
8I91GE2769
EC Number
207-509-9
Nikkaji
J312.540H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
62,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
2
Schwere Atome
24
Formalladung
0
Komplexität
461

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 2 Einträge

163.55 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];176.61 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];170.12 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];177.08 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

179.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
162 · 162-164 °C
Siedepunkt
465.27 °C · 465.27°C (rough estimate)
Dichte
1.2223 · 1.2223 (rough estimate)
Brechungsindex
1.5 · 1.5000 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
Acetonitrile (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
Aggregatzustand
Solid
pka
9.75 · 9.75±0.20(Predicted)
Farbe
Yellow to Dark Brown
Merck
13 · 13,1316
BRN
94036 · 94036
Major Application
food and beveragesforensics and toxicologyveterinary
InChI
1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
InChIKey
LZJRNLRASBVRRX-ZDUSSCGKSA-N
SMILES
COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c-2c34)cc1O
LogP
0.837 · 0.837 (est)
CAS Datenbank
476 · 476-70-0(CAS DataBase Reference)
EPA chemische Informationen
4 H-Dibenzo[de,g]quinoline-2,9-diol, · 4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)- (476-70-0)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.;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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
1544
hs_code
29399990
RTECS-Nr.
CE0750000
risk_code
22-36/37/38
hazard_code
Xn
safety_code
1-20-24/25-45-36-26
hazard_class
6.1(b)
packing_group
III
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Drugs that interrupt transmission at the skeletal neuromuscular junction by causing sustained depolarization of the motor end plate. These agents are primarily used as adjuvants in surgical anesthesia to cause skeletal muscle relaxation.

Verwendung und Herstellung

General Manufacturing Information4H-Dibenzo[de,g]quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-: INACTIVE
Anwendungen · 1 Eintrag

Verwendenboldine is attributed with strong anti-oxidant properties. It has also demonstrated an ability to protect against uVB rays. Boldine is a constituent of the boldo plant (Peumus boldus Mol.) native to Chile, and is found in the plant’s leaves and bark.

Anbieter100 Anbieter

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315(微信同号) 17701422019 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
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大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
曼斯特(成都)生物科技有限公司18011593992 · [email protected]
Wuhan ChemNorm Biotech Co.,Ltd.+86-27-8439 4403 18971486879 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物(AbMole)021-10000000 13000000000 · [email protected]

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Reaktionsgleichung von HRID 233821
HRID 233821als Eduktuspto-grants-1997_01
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HRID 233822als Eduktuspto-grants-1997_01

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