Zicronapine , CAS No.170381-16-5

CAS: 170381-16-5 Cat. No.: Z669145 Molecular Weight: 354.9 PubChem CID: 11465618
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Synonyms
Zicronapine | QZV11V7G6A | LU 31-130 | LU-31-130 | 4-((1R,3S)-6-Chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-1,2,2-trimethylpiperazine | 4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine | UNII-QZV11V7G6A | Piperazine, 4-[(1R
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
Z669145-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
Z669145-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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
Zicronapine | QZV11V7G6A | LU 31-130 | LU-31-130 | 4-((1R, 3S)-6-Chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl)-1, 2, 2-trimethylpiperazine | 4-[(1R, 3S)-6-chloro-3-phenyl-2, 3-dihydro-1H-inden-1-yl]-1, 2, 2-trimethylpiperazine | UNII-QZV11V7G6A | Piperazine, 4-[(1R
Storage
Room temperature
Product Properties
ALogP4.7
Names and Identifiers
Canonical SmilesCC1(CN(CCN1C)C2CC(C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C
IUPAC Name4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
InChIKeyBYPMJBXPNZMNQD-PZJWPPBQSA-N
INCHI1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
Isomeric SMILES CC1(CN(CCN1C)[C@@H]2C[C@H](C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C
PubChem CID 11465618
Molecular Weight 354.9

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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassIndanes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndanes
Alternative Parents N-methylpiperazines  Aralkylamines  Benzene and substituted derivatives  Aryl chlorides  Trialkylamines  Azacyclic compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indane - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DRD1 Tclin D(1A) dopamine receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DRD2 Tclin D(2) dopamine receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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 Weight354.900 g/mol
XLogP34.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass354.186 Da
Monoisotopic Mass354.186 Da
Topological Polar Surface Area6.500 Ų
Heavy Atom Count25
Formal Charge0
Complexity459.000
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
Reviews

Customer Reviews

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