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| CAS No.: | 11032-41-0 |
|---|---|
| Name: | DIHYDROERGOTAMINE MESYLATE |
| Molecular Structure: | |
 |
|
| Formula: | C34H41N5O8S |
| Molecular Weight: | 679.78 |
| Synonyms: | 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotoxine deriv.; Indolo[4,3-fg]quinoline, ergotoxine deriv.;9,10-Dihydroergotoxine; Co-dergocrine; DCCK; DHETX; Dihydroergotoxin;Dihydroergotoxine |
| Hazard Symbols: |
|
| Risk Codes: | 20/21/22 |
| Safety: | A poison by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 180.96000 |
| LogP: | 2.87050 |
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Chemistry
Product Name: Dihydroergotoxine (CAS NO.11032-41-0)
Molecular Formula: C34H41N5O8S
Molecular Weight: 679.78g/mol
Mol File: 11032-41-0.mol
Solubility: Methanol: 21 mg/mL
H-Bond Donor: 4
H-Bond Acceptor: 9
Structure Descriptors of Dihydroergotoxine (CAS NO.11032-41-0):
Canonical SMILES: CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O
InChI: InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)
InChIKey: ADYPXRFPBQGGAH-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 71mg/kg (71mg/kg) | Russian Pharmacology and Toxicology Vol. 31, Pg. 53, 1968. |
Safety Profile
A poison by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of Dihydroergotoxine (CAS NO.11032-41-0):
Hazard Codes: Xn
Risk Statements: 20/21/22
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
Safety Statements: 36
36: Wear suitable protective clothing
Specification
Dihydroergotoxine ,its CAS NO. is 11032-41-0,the synonyms is Ergoloid dihydroergotoxine ; Ergotoxine, dihydro- .