511-08-0Relevant articles and documents
The synthesis of alkaloids of the ergotoxin group. 70. Section on ergot alkaloids
Stadler,Guttmann,Hauth,Huguenin,Sandrin,Wersin,Willems,Hofmann
, p. 1549 - 1564 (2007/10/04)
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511-08-0
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Basic information
- Product Name: ERGOCRISTINE
- Synonyms: 6’,18-trione,12’-hydroxy-2’-(1-methylethyl)-5’-(phenylmethyl)-ergotaman-3;ergocrystine;ERGOCRISTINE;12μ-Hydroxy-2μ-(1-methylethyl)-5μ-(phenylmethyl)ergotaman-3μ,6μ,18μ-trione;12'-Hydroxy-2'-isopropyl-5'α-benzylergotaman-3',6',18-trione;(5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)ergotaMan-3',6',18-trione;NSC 93743;(5'alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
- CAS NO:511-08-0
- Molecular Formula: C35H39N5O5
- Molecular Weight: 609.71
- EINECS: 208-120-7
- Product Categories: Aromatics;Chiral Reagents;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
- Mol File: 511-08-0.mol
- Article Data: 1
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Chemical Properties
- Melting Point: 155-157 °C(lit.)
- Boiling Point: 655.69°C (rough estimate)
- Flash Point: 505.8°C
- Appearance: /
- Density: 1.1839 (rough estimate)
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: 1.7500 (estimate)
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 9.59±0.60(Predicted)
- CAS DataBase Reference: ERGOCRISTINE(CAS DataBase Reference)
- NIST Chemistry Reference: ERGOCRISTINE(511-08-0)
- EPA Substance Registry System: ERGOCRISTINE(511-08-0)
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Safety Data
- Hazard Codes: T
- Statements: 23/24/25
- Safety Statements: 22-36/37/39-45-24/25
- RIDADR: 1544
- WGK Germany:
- RTECS: KE1180000
- HazardClass: 6.1(b)
- PackingGroup: III
- Hazardous Substances Data: 511-08-0(Hazardous Substances Data)
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511-08-0 Usage
Description
ERGOCRISTINE, a derivative of lysergic acid and a natural ergot alkaloid, is a member of the ergotoxine group. It is characterized by the presence of ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12', and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. ERGOCRISTINE is known for its intraocular pressure-lowering effect, which makes it a potential candidate for future applications in ocular pharmacology.Uses
Used in Ocular Pharmacology:ERGOCRISTINE is used as a therapeutic agent for the treatment of glaucoma and other ocular hypertension conditions. Its intraocular pressure-lowering effect helps in managing and reducing the risk of vision loss associated with these eye disorders.
Used in Pharmaceutical Research:
ERGOCRISTINE is used as a research compound in the development of new drugs and therapies targeting various medical conditions. Its unique chemical structure and properties make it a valuable tool for understanding the mechanisms of action and potential applications in different therapeutic areas.
Purification Methods
It crystallises with 2 molecules of solvent of crystallisation from *benzene. [Stadler et al. Helv Chim Acta 52 1549 1969, Beilstein 25 III/IV 966, 27 II 860.]Check Digit Verification of cas no
The CAS Registry Mumber 511-08-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,1 and 1 respectively; the second part has 2 digits, 0 and 8 respectively.Calculate Digit Verification of CAS Registry Number 511-08:
(5*5)+(4*1)+(3*1)+(2*0)+(1*8)=40
40 % 10 = 0
So 511-08-0 is a valid CAS Registry Number.
InChI:InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)