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
Uses
A derivative of lysergic acid and a natural ergot alkaloid which is a member of the ergotoxine group. Its intraocular pressure lowering effect makes it potential candidate for future applications in ocular pharmacology.Definition
ChEBI: Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.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)