Carmoxirole
Also known as Carmoxirol, Carmoxirolum, 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridyl)butyl)indole-5-carboxylic acid
Key facts
What buyers check first
- CAS number
- 98323-83-2
- Formula
- C24H26N2O2
- Molar mass
- 374.48 g/mol
- HS code
- 293339
- Category
- Screening compounds
What is Carmoxirole?
Plain description, key identifiers and synonyms
Carmoxirole is an indolecarboxylic acid that is indole-5-carboxylic acid bearing an additional 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl substituent at position 3. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. It has a role as an antihypertensive agent, a platelet aggregation inhibitor and a dopamine agonist. It is a tetrahydropyridine, an indolecarboxylic acid and a tertiary amino compound. It is a conjugate base of a carmoxirole(1+).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid
- CAS number
- 98323-83-2 CAS number cross-checked
- Molecular formula
- C24H26N2O2
- UNII
- MRP4P457ZA
- InChIKey
- AFSOIHMEOKEZJF-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H26N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28)
- SMILES (canonical and isomeric)
- C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O
Synonyms
- Carmoxirol
- Carmoxirolum
- 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridyl)butyl)indole-5-carboxylic acid
- 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indole-5-carboxylic acid
- 3-(4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl)-1H-indole-5-carboxylic acid
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid
- 3-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-1H-indole-5-carboxylic acid
- 3-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)-1H-indole-5-carboxylicacid
- 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridyl)-butyl]-indole-5-carboxylic acid
- 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid, CARMOXIROLE, Carmoxirol, Carmoxirolum,
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 374.48 g/molcalc.Computed value |
|---|---|
| Exact mass | 374.1994 Dacalc.Computed value |
| LogP (octanol/water) | 4.98calc.Computed value |
| Topological polar surface area | 56.33 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 28calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.29calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
![Murcko scaffold of this chemical, C1=C(c2ccccc2)CCN(CCCCc2c[nH]c3ccccc23)C1](/scaffold/AACJICLCLVMZKK-UHFFFAOYSA-N/structure.svg)
C1=C(c2ccccc2)CCN(CCCCc2c[nH]c3ccccc23)C1
4 rings, 25 atoms, the 3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole ring system.
6 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Carmoxirole suppliers
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Carmoxirole price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antihypertensive agent
- cardiovascular drug
- dopamine agonist
- dopaminergic agent
- hematologic agent
- neurotransmitter agent
- pharmaceutical
- platelet aggregation inhibitor
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Carmoxirole is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Carmoxirole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole chemical structure, C23H26N2, CAS 73966-53-7](/s/AACJICLCLVMZKK-UHFFFAOYSA-N.svg)
![5-Methoxy-3-[2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-1H-indole chemical structure, C22H24N2O, CAS 116729-32-9](/s/NPIDMYBXUNMQCE-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![N-[(2Z,4E)-1-(4-Methylpiperidin-1-yl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide chemical structure, C24H26N2O2, CAS 297145-73-4](/s/KMRNIXXSOYYGCI-POGMTIRKSA-N.svg)
![N-[1-(Cyclopropylcarbonyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]-N-phenylcyclopropanecarboxamide chemical structure, C24H26N2O2, CAS 332144-12-4](/s/KNWDGZUFTMYBGN-UHFFFAOYSA-N.svg)
![[4-(2,3-Dihydroindole-1-carbonyl)cyclohexyl]-(2,3-dihydroindol-1-yl)methanone chemical structure, C24H26N2O2, CAS 817566-76-0](/s/NQGDGMFJQAWNND-UHFFFAOYSA-N.svg)
![[2-(4-Ethoxyphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone chemical structure, C24H26N2O2, CAS 353476-99-0](/s/YPLOXASDGVHTDP-UHFFFAOYSA-N.svg)
![4-((4-Benzylpiperazin-1-yl)methyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one chemical structure, C24H26N2O2, CAS 565210-03-9](/s/SLZGMGKWEBJRSC-UHFFFAOYSA-N.svg)
![2-[4-[2-[5-(Cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid chemical structure, C24H26N2O2, CAS 1021936-34-4](/s/OENIXTHWZWFYIV-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Carmoxirole, based on the data on this page
What is Carmoxirole?
What is the CAS number of Carmoxirole?
What is the molecular formula and weight of Carmoxirole?
What is Carmoxirole used for?
Is Carmoxirole hazardous?
What is the HS code of Carmoxirole?
Where can I buy Carmoxirole?
What is the price of Carmoxirole?
Guides for buyers
Practical guides that help when you source, ship or handle Carmoxirole
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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