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Carbizocaine , CAS No.76629-87-3

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Carbizocaine , CAS No.76629-87-3

COA

Cas Number: 76629-87-3
Molecular Weight: 364.5
PubChem CID: 50266

In stock

Item Number

C667908

Grouped product items
SKU	Size	Availability	Price	Qty
C667908-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
C667908-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	Carbizocaine \| 71PN6ZL7TA \| 2-(Diethylamino)-1-methyethyl (2-(heptyloxy)phenyl)carbamate \| BK-95 FREE BASE \| UNII-71PN6ZL7TA \| CARBIZOCAINE, (+/-)- \| DTXSID40875350 \| BDBM50170638 \| Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(diethylamino)-1-methyethyl este

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Carbamate esters Trialkylamines Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Phenoxy compound - Phenol ether - Alkyl aryl ether - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Ether - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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

Product Properties

ALogP	5.6

Associated Targets(Human)

EBP Tchem 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (1 Activities)

Discover Target: EBP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

ERG2 C-8 sterol isomerase (237 Activities)

Discover Target: ERG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-(diethylamino)propan-2-yl N-(2-heptoxyphenyl)carbamate
INCHI	InChI=1S/C21H36N2O3/c1-5-8-9-10-13-16-25-20-15-12-11-14-19(20)22-21(24)26-18(4)17-23(6-2)7-3/h11-12,14-15,18H,5-10,13,16-17H2,1-4H3,(H,22,24)
InChIKey	PYSAVFUPLJMDHW-UHFFFAOYSA-N
Smiles	CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)CN(CC)CC
Isomeric SMILES	CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)CN(CC)CC
Molecular Weight	364.5
Reaxy-Rn	2765454
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2765454&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	364.500 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	364.273 Da
Monoisotopic Mass	364.273 Da
Topological Polar Surface Area	50.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	361.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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