Basic information
- Name:
Bromocriptine mesylate
- CAS No.:
22260-51-1
- Molecular Structure:
- Formula:
- C32H40BrN5O5.CH4SO3
- Molecular Weight:
- 750.70
- Synonyms:
- Bromocriptine mesilate (JP14);Bromocriptine mesylate (USP);Bromergon;Parlodel (TN);Pravidel;Prestwick_771;Ergotaman-3,6,18-trione, 2-bromo-12-hydroxy-2-(1-methylethyl)-5- (2-methylpropyl)-, (5alpha)-;2-Bromo-alpha-ergocryptine methanesulfonate;Bromocryptine mesylate;Parlodel;CB 154;Ergotaman-3',6',18-trione,2-bromo-12'- hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-,(5'R)-,monomethanesulfonate (salt);Bagren;
- EINECS:
- 244-881-1
- Boiling Point:
- 891.3 °C at 760 mmHg
- Flash Point:
- 492.8 °C
- Solubility:
- H2O: 0.8 mg/mL
- Appearance:
- white solid
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22
- Safety Description:
- 22-24/25-36 Details
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Chemistry
Product Name: Bromocriptine mesylate (CAS NO.22260-51-1)
Molecular Formula: C33H44BrN5O8S
Molar mass: 750.7 g/mol
EINECS: 244-881-1
Flash Point: 492.8 °C
Boiling Point: 891.3 °C at 760 mmHg
Vapour Pressure: 4.15E-34 mmHg at 25°C
Storage temp: 2-8°C
Solubility: H2O: 0.8 mg/mL
Form: solid
Color: white
H-Bond Donor: 4
H-Bond Acceptor: 9
Structure Descriptors of Bromocriptine mesylate (CAS NO.22260-51-1):
Canonical SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
Isomeric SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
InChI: InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
InChIKey: NOJMTMIRQRDZMT-GSPXQYRGSA-N
Product categories: Dopamine receptor
Toxicity Data With Reference
| 1. | orl-wmn TDLo:650 µg/kg/9D-I:BAH,CVS | AIMEAS Annals of Internal Medicine. 118 (1993),199. | ||
| 2. | orl-cld TDLo:375 µg/kg | JOPDAB Journal of Pediatrics. 105 (1984),838. | ||
| 3. | orl-wmn TDLo:1 mg/kg/20D-I:BAH | AJPSAO American Journal of Psychiatry. 143 (1985),935. | ||
| 4. | orl-man TDLo:52 mg/kg/35W-I:CNS | NEURAI Neurology. 35 (1985),1193. | ||
| 5. | ivn-rat LD50:10,500 µg/kg | YKYUA6 Yakkyoku. Pharmacy. 29 (1978),1231. | ||
| 6. | orl-mus LD50:2502 mg/kg | YKYUA6 Yakkyoku. Pharmacy. 30 (1979),809. | ||
| 7. | ivn-mus LD50:189 mg/kg | YKYUA6 Yakkyoku. Pharmacy. 30 (1979),809. | ||
| 8. | ivn-rbt LD50:8200 µg/kg | IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. 10 (1979),232. |
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. Human systemic effects by ingestion: cardiomyopathy. cerebral spinal fluid changes, distorted perceptions, hallucinations, headache, toxic psychosis. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br−, SOx, and NOx.
Safety Information of Bromocriptine mesylate (CAS NO.22260-51-1):
Hazard Codes: Xn.gif){kind=small}
Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
Safety Statements:
22: Do not breathe dust
24: Avoid contact with skin
25: Avoid contact with eyes
36: Wear suitable protective clothing
Specification
Bromocriptine mesylate (CAS NO.22260-51-1) also can be called Parlodel ; 2-Bromine-a-ergocryptine Methanesulfonate ; 8,9-hexahydroindolo[4,3-fg]quinoléine-9-carboxamide (1:1) ; 2-Bromo-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione Monomethanesulphonate .