1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, succinate (2:1) supplier

Name
5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole butanedioate (2:1)
EINECS
CAS No. 66611-27-6
Density
Solubility
Melting Point
Formula C₃₂H₃₈N₄O₆
Boiling Point 434.6 °C at 760 mmHg
Molecular Weight 574.67
Flash Point 216.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole succinate (2:1);RU 24969;
PSA
LogP

1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, succinate (2:1) Specification

The 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, succinate (2:1) with CAS registry number of 66611-27-6 is also known as 5-Methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole succinate (2:1). The IUPAC name is Butanedioic acid; 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole. It belongs to classification code of Drug/Therapeutic Agent. In addition, the formula is C₃₂H₃₈N₄O₆ and the molecular weight is 574.67.

Physical properties about 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, succinate (2:1) are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.04; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 216.7 °C; (13)Enthalpy of Vaporization: 69.08 kJ/mol; (14)Boiling Point: 434.6 °C at 760 mmHg; (15)Vapour Pressure: 9.33E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O
2. InChI: InChI=1S/2C14H16N2O.C4H6O4/c2*1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10;5-3(6)1-2-4(7)8/h2*2-4,8-9,15-16H,5-7H2,1H3;1-2H2,(H,5,6)(H,7,8)
3. InChIKey: BNYJLRQAWCQJOM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	120mg/kg (120mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 33, 1987.

Product Name

5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole butanedioate (2:1)

1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, succinate (2:1) Specification

Related Products

Hot Products