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BAM-1110 [CAS 155210-57-4]

BAM-1110 [CAS 155210-57-4]

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QM-0016597

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Product Details

  • Description

    BAM-1110 is a dopamine receptor agonist. BAM-1110 exhibits dose-dependent antiparkinsonian activity in MPTP -treated monkey models of Parkinson's disease. BAM-1110 has minimal side effects and can be used for the research of Parkinson's disease and other neurological disorders[1].

  • CAS Number

    [155210-57-4]

  • Molecular Formula

    C18H21N5.xC4H4O4

  • Smiles

    OC(/C=C\C(O)=O)=O.CN1[C@@]2([H])[C@@](C[C@H](C1)CN3C=NC=N3)([H])C4=CC=CC5=C4C(C2)=CN5.[x]

  • Target

    Dopamine Receptor

  • Shipping Conditions

    Room temperature
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BAM-1110 [CAS 155210-57-4]

Quantimol Compound Profile

BAM 1110

Ergoline derivative maleate with structured identity, computed molecular properties, and public reference access
This product summary presents the compound identity, molecular descriptors, key calculated physicochemical properties, and direct access to external reference records for documentation and research-oriented product presentation.

Structure

BAM 1110 chemical structure
Public compound structure image

Key Identifiers

Product Name
BAM 1110
CAS Number
155210-57-4
Molecular Formula
C22H25N5O4
Molecular Weight
423.5 g/mol
PubChem CID
InChIKey
MNIXOHSBCFNRSH-UQGUCNKVSA-N

Names & Synonyms

IUPAC Name
(6aR,9R,10aR)-7-methyl-9-(1,2,4-triazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline; (Z)-but-2-enedioic acid
Common Synonyms
BAM 1110
BAM-1110
(5R,8R,10R)-6-Methyl-8-(1,2,4-triazol-l-ylmethyl)ergoline maleate
Reference Identifier
RefChem:916698

Structure Descriptors

SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C18H21N5.C4H4O4/c1-22-8-12(9-23-11-19-10-21-23)5-15-14-3-2-4-16-18(14)13(7-20-16)6-17(15)22;5-3(6)1-2-4(7)8/h2-4,7,10-12,15,17,20H,5-6,8-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t12-,15-,17-;/m1./s1
Covalently Bonded Units
2

Computed Physicochemical Properties

Property Value
Molecular Weight 423.5 g/mol
Exact Mass 423.19065430 Da
Monoisotopic Mass 423.19065430 Da
Topological Polar Surface Area (TPSA) 124 Ų
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Heavy Atom Count 31
Formal Charge 0
Complexity 562
Defined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 1
Compound Canonicalized Yes

Parent Compound

1-(6-Methylergolin-8beta-ylmethyl)-1,2,4-triazole
View Parent Compound

Component Compounds

CID 9888535 — 1-(6-Methylergolin-8beta-ylmethyl)-1,2,4-triazole
CID 444266 — Maleic acid