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27848-84-6

Basic Information
CAS No.: 27848-84-6
Name: Ergoline-8-methanol,10-methoxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8b)-
Molecular Structure:
Molecular Structure of 27848-84-6 (Ergoline-8-methanol,10-methoxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8b)-)
Formula: C24H26BrN3O3
Molecular Weight: 484.39
Synonyms: (+)-10-Methoxy-1,6-dimethylergoline-8-beta-methanol 5-bromonicotinate;1-Methyl-lumilysergol 8-(5-bromonicotinate) 10-methyl ether;10-Methoxy-1,6-dimethyl-ergolin-8-beta-methanol-(5-bromnicotinat);8-beta-((5-Bromonicotinoyloxy)methyl)-1,6-dimethyl-10-alpha-methoxyergoline;
EINECS: 248-694-6
Density: 1.47 g/cm3
Melting Point: 136-138°
Boiling Point: 594.4 °C at 760 mmHg
Flash Point: 313.3 °C
Solubility: Soluble in alcohol, chloroform, and acetone. Insoluble in water.
Appearance:
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
Transport Information:
PSA: 56.59000
LogP: 3.84880
Downstream Products
35155-28-3
20826-04-4
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  • Nicergoline

  • Casno:

    27848-84-6

    Nicergoline

    Min.Order: 1 Gram

    FOB Price:  USD $ 10.0-10.0/Gram

    Zhejiang J&C Biological Technology Co., Limited is specialized in the production of high complex new type intermediates and chemical custom synthesis, scale-up production and rare chemicals trade. Products category is including Intermediates &a

    ZHEJIANG BIOLOGY AND TECHNOLOGY CO., LTD. is a modern professional high-tech enterprise, which is specializing in generic APIs and pharmaceutical intermediates. especially in pepti

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  • Ergoline-8-methanol,10-methoxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8b)-

  • Casno:

    27848-84-6

    Ergoline-8-methanol,10-methoxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8b)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    1, High quality with competitive price:2, Fast and safe delivery3.Excellent pre-sales and after-sales service4. Well-trained and professional technologist and sales with rich experience in the field for 5-10 yearsAppearance:see detailed specification

    Hangzhou Clap Technology Co., Ltd is a leading manufacturer and supplier of API, Pharma intermediates, organic and inorganic compounds, rare earth, pesticide, raw drugs, fine chemi

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    Business Type:Trading Company

    Tel:86-571-56972507

    Address:Room 4198,Floor 4,No.4,ShanXian Road XiaCheng District,HangZhou city,ZheJiang province,China

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Specification

The Nicergoline is an organic compound with the formula C24H26BrN3O3. The systematic name of this chemical is [(8β)-10-methoxy-1,6-dimethylergolin-8-yl]methyl 5-bromopyridine-3-carboxylate. With the CAS registry number 27848-84-6, it is also named as 1-Methyllumilysergol 8-(5-Bromonicotinate) 10-Methyl Ether. The product's categories are Miscellaneous Natural Products; Miscellaneous; Adrenoceptor. Besides, it should be stored at temperature of 2 - 8 °C.

Physical properties about Nicergoline are: (1)ACD/LogP: 4.34; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 3.81; (4)ACD/BCF (pH 5.5): 6.99; (5)ACD/BCF (pH 7.4): 343.15; (6)ACD/KOC (pH 5.5): 32.71; (7)ACD/KOC (pH 7.4): 1604.94; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 56.59 Å2; (11)Index of Refraction: 1.67; (12)Molar Refractivity: 122.53 cm3; (13)Molar Volume: 327.9 cm3; (14)Polarizability: 48.57×10-24cm3; (15)Surface Tension: 50.6 dyne/cm; (16)Density: 1.47 g/cm3; (17)Flash Point: 313.3 °C; (18)Enthalpy of Vaporization: 88.59 kJ/mol; (19)Boiling Point: 594.4 °C at 760 mmHg; (20)Vapour Pressure: 4.28E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cnc1)C(=O)OC[C@@H]3C[C@]4(OC)c5cccc2c5c(cn2C)C[C@H]4N(C3)C
(2)InChI: InChI=1/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
(3)InChIKey: YSEXMKHXIOCEJA-FVFQAYNVBF
(4)Std. InChI: InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1
(5)Std. InChIKey: YSEXMKHXIOCEJA-FVFQAYNVSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 20mg/kg (20mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1206, 1979.
dog LD50 oral 790mg/kg (790mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 20, Pg. 5907, 1986.
mouse LD50 intraperitoneal 198mg/kg (198mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacobio-Dynamics. Vol. 10, Pg. 35, 1987.
mouse LD50 intravenous 46mg/kg (46mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1206, 1979.
mouse LD50 oral 633mg/kg (633mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1223, 1979.
mouse LD50 subcutaneous 1025mg/kg (1025mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intraperitoneal 1571mg/kg (1571mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intravenous 42mg/kg (42mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1206, 1979.
rat LD50 oral 1193mg/kg (1193mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 subcutaneous 776mg/kg (776mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1223, 1979.