Ergocristine
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Category | Others |
Catalog number | BBF-05789 |
CAS | 511-08-0 |
Molecular Weight | 609.71 |
Molecular Formula | C35H39N5O5 |
Purity | ≥95% |
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Capabilities & Facilities
Fermentation Lab
4 R&D and scale-up labs
2 Preparative purification labs
Fermentation Plant
Semi pilot, pilot and industrial plant 4 Manufacturing sites 7 Production lines at pilot scale 100+ Reactors of 30-4000 L; 170+ reactors of 20 KL-30 KL; 24+ reactors of >100 KL 2 Hydrogenation reactors (200 L, 4Mpa and 1000L, 4Mpa)
Product Description
Ergocristine is a derivative of lysergic acid and a natural ergot alkaloid.
- Specification
- Properties
- Toxicity
- Reference Reading
- Spectrum
- Price Product List
Synonyms | (5'α)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione; Ergocrystine; NSC 93743 |
Storage | Store at -20°C under inert atmosphere |
IUPAC Name | (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
Canonical SMILES | CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C |
InChI | InChI=1S/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)/t23-,27-,28+,29+,34-,35+/m1/s1 |
InChI Key | HEFIYUQVAZFDEE-MKTPKCENSA-N |
Source | Ergocristine is an alkaloid of the ergoline family. Like other ergoline alkaloids, it occurs in various species of vines of the Convolvulaceae (morning glory) family and in some species of lower fungi. |
Appearance | White Powder |
Boiling Point | 912.8±65.0°C at 760 mmHg |
Melting Point | 155-161°C |
Density | 1.4±0.1 g/cm3 |
Solubility | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | Ergoline alkaloids tend to act as a group, producing complex and variable effects of partial agonism or antagonism at adrenergic, dopaminergic, and serotonergic receptors. Variables relating to these effects are influenced by the agent, dosage, species, tissue, physiological, and endocrinological state, and experimental conditions. In particular, ergoline alkaloids have been shown to have the significant affinity towards the 5-HT1 and 5-HT2 serotonin receptors, D1 and D2 dopamine receptors, and alpha-adrenergic receptors. This can result in a number of different effects, including vasoconstriction, convulsions, and hallucinations. Ergometrine is also known to have a non-receptor specific oxytocic activity. |
LC-MS/MS Spectrum - 30V, Positive

Predicted LC-MS/MS Spectrum - 10V, Positive

Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C35H39N5O5
Molecular Weight (Monoisotopic Mass): 609.2951 Da
Molecular Weight (Avergae Mass): 609.7147 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
