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LY233536 , CAS No.136845-59-5

COA

Grade & Purity:

Moligand™

Cas Number: 136845-59-5
PubChem CID: 126239

In stock

Item Number

L611637

Grouped product items
SKU	Size	Availability	Price	Qty
L611637-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$920.90
L611637-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,700.90

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Ion channel (2197)

Basic Description

Synonyms	LY 233536 \| 136845-59-5 \| LY-233536 \| LY233536 \| Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid \| 3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-ylmethyl)-, (3R,4aS,6R,8aS)- \| 3-Isoquinolinecarboxylic acid, decahydro-6-(1H-tetrazol-5-yl
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acids
        Level8 D-alpha-amino acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
Direct Parent	D-alpha-amino acids
Alternative Parents	Piperidinecarboxylic acids Aralkylamines Tetrazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	D-alpha-amino acid - Piperidinecarboxylic acid - Aralkylamine - Piperidine - Heteroaromatic compound - Tetrazole - Azole - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(3R,4aS,6R,8aS)-6-(1H-1,2,3,4-tetrazol-5-ylmethyl)-decahydroisoquinoline-3-carboxylic acid
INCHI	InChI=1S/C12H19N5O2/c18-12(19)10-5-9-3-7(1-2-8(9)6-13-10)4-11-14-16-17-15-11/h7-10,13H,1-6H2,(H,18,19)(H,14,15,16,17)/t7-,8-,9+,10-/m1/s1
InChIKey	ACTONBBIVMTUAJ-DOLQZWNJSA-N
Smiles	OC(=O)[C@@H]1NC[C@@H]2[C@H](C1)C[C@@H](CC2)Cc1nnn[nH]1
Isomeric SMILES	C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CC3=NNN=N3)C(=O)O
Reaxy-Rn	48186786
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48186786&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	265.310 g/mol
XLogP3	-1.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	265.154 Da
Monoisotopic Mass	265.154 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	340.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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