NABOCTATE

Details

Stereochemistry	MIXED
Molecular Formula	C33H53NO3
Molecular Weight	511.7788
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCC(C)C1=CC2=C(C(OC(=O)CCCN(CC)CC)=C1)C3=C(CCC(C)C3)C(C)(C)O2

InChI

InChIKey=UDQAWRWPAGUCRX-UHFFFAOYSA-N

InChI=1S/C33H53NO3/c1-8-11-12-13-14-16-25(5)26-22-29(36-31(35)17-15-20-34(9-2)10-3)32-27-21-24(4)18-19-28(27)33(6,7)37-30(32)23-26/h22-25H,8-21H2,1-7H3

HIDE SMILES / InChI

Molecular Formula	C33H53NO3
Molecular Weight	511.7788
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=20070405&CC=WO&NR=2007036671A2&KC=A2 | http://appft1.uspto.gov/netacgi/nph-Parser?Sect1=PTO1&Sect2=HITOFF&d=PG01&p=1&u=/netahtml/PTO/srchnum.html&r=1&f=G&l=50&s1=%2720100226943%27.PGNR.&OS=DN/20100226943&RS=DN/20100226943

Naboctate (SP-325) is a synthetic cannabinoid receptor agonist, which has antiemetic, sedative, anxiolytic and anti-glaucoma properties. In a normotensive rabbit model, topically applied naboctate in aqueous solution induced dose-related decreases in intraocular pressure.

Approval Year

Patents

Sample Use Guides

In Vivo Use Guide

aq. soln. 0.2, 0.5, and 1%

Route of Administration: Topical

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:12:11 GMT 2023` Edited by `admin` on `Fri Dec 15 17:12:11 GMT 2023`
Record UNII	N6YFU80HRG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NABOCTATE

Official Name

English

(±)-7,8,9,10-TETRAHYDRO-6,6,9-TRIMETHYL-3-(1-METHYLOCTYL)6H-DIBENZO(B,D)PYRAN-1-YL 4-(DIETHYLAMINO)BUTYRATE

Systematic Name

English

naboctate [INN]

Common Name

English

BUTANOIC ACID, 4-(DIETHYLAMINO)-, 7,8,9,10-TETRAHYDRO-6,6,9-TRIMETHYL-3-(1-METHYLOCTYL)-6H-DIBENZO(B,D)PYRAN-1-YL ESTER, (±)-

Common Name

English

Code System Code Type Description

FDA UNII

N6YFU80HRG