2-Oxo-3-hydroxy-lysergide - analytical standard,100 μg/mL in acetonitrile , CAS No.111295-09-1

CAS: 111295-09-1 Cat. No.: O1303319 Summenformel: C20H25N3O3 Molekulargewicht: 355.43 PubChem CID: 10155149
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100 μg/mL in acetonitrile
Storage
Room temperature
Shipped In
Normal
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Size
Deutschland (EU)
USA*
Price
Qty
1ml
O1303319-1ml
Auf Bestellung · 8–12 Wochen
84,95€
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Why this grade

analytical standard,100 μg/mL in acetonitrile Analytischer Standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Spezifikationen & Reinheit
analytical standard,100 μg/mL in acetonitrile
Storage
Room temperature
Verschickt in
Normal
Note
Analytischer Standard
Namen und Kennungen
Kanonisches Lächeln
CCN(CC)C(=O)C1CN(C2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C
IUPAC Name
(6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKey
YSZSHHCNLVHCNV-VRORWYBRSA-N
INCHI
1S/C20H25N3O3/c1-4-23(5-2)18(24)12-9-14-13-7-6-8-15-17(13)20(26,19(25)21-15)10-16(14)22(3)11-12/h6-9,12,16,26H,4-5,10-11H2,1-3H3,(H,21,25)/t12-,16-,20?/m1/s1
Isomere SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C
PubChem CID
10155149
Molekulargewicht
355.43

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
KlasseErgoline and derivatives
SubclassLysergic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentLysergic acids and derivatives
Alternative Parents 6,7-secoergolines  Benzoquinolines  Quinoline-3-carboxamides  Tetralins  Isoindolones  Indolines  Aralkylamines  Tertiary carboxylic acid amides  Tertiary alcohols  Lactams  Amino acids and derivatives  Trialkylamines  Secondary carboxylic acid amides  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Quinoline-3-carboxamide - Isoindolone - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht355.400 g/mol
XLogP30.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass355.19 Da
Monoisotopic Mass355.19 Da
Topological Polar Surface Area72.900 Ų
Heavy Atom Count26
Formal Charge0
Complexity644.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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