D155

Dihydroergocristine methanesulfonate salt

• Empirical Formula (Hill Notation): C₃₅H₄₁N₅O₅ · CH₄O₃S
• CAS Number: 24730-10-7
• Molecular Weight: 707.84
• EC Number: 246-434-6
• MDL number: MFCD00153792
• UNSPSC Code: 41116107
• PubChem Substance ID: 24277912

Properties

• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• solubility: H₂O: 10 mg/mL; methanol: 22 mg/mL
• application(s): forensics and toxicology; veterinary
• SMILES string: CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]5(O[C@]6(O)N([C@@H](Cc7ccccc7)C(=O)N8CCC[C@@]68[H])C5=O)C(C)C
• InChI: 1S/C35H41N5O5.CH4O3S/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;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1
• InChI key: SPXACGZWWVIDGR-SPZWACKZSA-N
• Gene Information: human ... ADRA1A(148) , ADRA1B(147) , ADRA1D(146) , ADRA2A(150) , ADRA2B(151) , ADRA2C(152) , ADRB1(153) , ADRB2(154) , ADRB3(155) , DRD1(1812) , DRD2(1813) , DRD3(1814) , DRD4(1815) , DRD5(1816) , HTR1A(3350) , HTR1B(3351) , HTR1D(3352) , HTR1E(3354) , HTR1F(3355) , HTR2A(3356) , HTR2B(3357) , HTR2C(3358) , HTR3A(3359) , HTR3B(9177) , HTR3C(170572) , HTR3D(200909) , HTR3E(285242) , HTR4(3360) , HTR5A(3361) , HTR5B(645694) , HTR6(3362) , HTR7(3363)

Description

Biochem/physiol Actions

Ergot alkaloid. Vasoconstrictor; and partial agonist at dopaminergic and adrenergic receptors; antagonist at serotonergic receptors.

Safety Information

• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)