(-​)​-​Tetrabenazine - ≥97% , CAS No.1026016-84-1

CAS: 1026016-84-1 Cat. No.: T171716 Molecular Weight: 317.429 PubChem CID: 11634155
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
(3S,11bS)-tetrabenazine|1026016-84-1|(-)-tetrabenazine|Tetrabenazine, (-)-|(3S,11bS)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one|(-)-Tbz|(3S,11bS)-Tbz|Z9O08YRN8O|Xenazine|8A3NP33E5M|CHEMBL519344|DTXSID0042614|CHEBI
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
100mg
T171716-100mg
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$500.90

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Why this grade

≥97% 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.

📚

Literature proof

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

Specifications

Synonyms
(3S, 11bS)-tetrabenazine | 1026016-84-1 | (-)-tetrabenazine | Tetrabenazine, (-)- | (3S, 11bS)-3-Isobutyl-9, 10-dimethoxy-3, 4, 6, 7-tetrahydro-1H-pyrido[2, 1-a]isoquinolin-2(11bH)-one | (-)-Tbz | (3S, 11bS)-Tbz | Z9O08YRN8O | Xenazine | 8A3NP33E5M | CHEMBL519344 | DTXSID0042614 | CHEBI
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Action Type
INHIBITOR
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
IUPAC Name(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChIKeyMKJIEFSOBYUXJB-HOCLYGCPSA-N
INCHI1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
Isomeric SMILES CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)OC)OC
PubChem CID 11634155
Molecular Weight 317.429

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassTetrahydroisoquinolines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetrahydroisoquinolines
Alternative Parents Anisoles  Piperidinones  Aralkylamines  Alkyl aryl ethers  Trialkylamines  Cyclic ketones  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Piperidinone - Aralkylamine - Piperidine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Ether - Azacycle - Amine - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC18A2 Tclin Synaptic vesicular amine transporter (118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight317.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass317.199 Da
Monoisotopic Mass317.199 Da
Topological Polar Surface Area38.800 Ų
Heavy Atom Count23
Formal Charge0
Complexity425.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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