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Merck
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주요 문서

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E131

Sigma-Aldrich

Ergocornine

>95%, solid

동의어(들):

12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione

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About This Item

실험식(Hill 표기법):
C31H39N5O5
CAS Number:
564-36-3
Molecular Weight:
561.67
EC Number:
209-272-7
MDL number:
MFCD00274574
UNSPSC 코드:
12352200
PubChem Substance ID:
24894401

분석

>95%

형태

solid

광학 활성

[α]/D −105.6°, c = 0.85 in pyridine(lit.)

색상

white

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL
ethanol: 1.02 mg/mL
DMSO: 6.5 mg/mL
H2O: insoluble

SMILES string

[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]5(O[C@]6(O)N([C@@H](C(C)C)C(=O)N7CCC[C@@]67[H])C5=O)C(C)C)c34

InChI

1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

InChI key

UJYGDMFEEDNVBF-OGGGUQDZSA-N

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생화학적/생리학적 작용

Dopamine receptor agonist; ergot alkaloid.

Storage Class Code

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

개인 보호 장비

Eyeshields, Gloves, type N95 (US)

시험 성적서(COA)

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