ERGOCRISTINE
ergocristine
CAS: 511-08-0
Molecular Formula: C35H39N5O5
ERGOCRISTINE - Names and Identifiers
| Name | ergocristine |
| Synonyms | NSC 93743 BRN 0079046 Ergocristine ergocristine Ergocrystine ERGOCRISTINE ergocrystine Dihydro Ergotamine Impurity 6 4-25-00-00966 (Beilstein Handbook Reference) 12'-Hydroxy-2'-isopropyl-5'α-benzylergotaman-3',6',18-trione 5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman (5'alpha)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman 6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-ergotaman-3 12μ-Hydroxy-2μ-(1-methylethyl)-5μ-(phenylmethyl)ergotaman-3μ,6μ,18μ-trione (5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)ergotaMan-3',6',18-trione Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)- Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)- (9CI) |
| CAS | 511-08-0 |
| EINECS | 208-120-7 |
| 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) |
ERGOCRISTINE - Physico-chemical Properties
| Molecular Formula | C35H39N5O5 |
| Molar Mass | 609.73 |
| Density | 1.1839 (rough estimate) |
| Melting Point | 155-157°C(lit.) |
| Boling Point | 655.69°C (rough estimate) |
| Specific Rotation(α) | D20 -183° (chloroform) |
| Flash Point | 505.8°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | 9.59±0.60(Predicted) |
| Refractive Index | 1.7500 (estimate) |
ERGOCRISTINE - Risk and Safety
| Hazard Symbols | T - Toxic |
| Risk Codes | 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 1544 |
| RTECS | KE1180000 |
| HS Code | 29396900 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
ERGOCRISTINE - Reference Information
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:52:54
