SIMETRIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H38N2O6
Molecular Weight	498.6111
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=CC(OC)=C(OCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(CCC)C=C3OC)C=C1

InChI

InChIKey=IMOLVSPMDGCLMB-UHFFFAOYSA-N

InChI=1S/C28H38N2O6/c1-5-7-21-9-11-23(25(17-21)33-3)35-19-27(31)29-13-15-30(16-14-29)28(32)20-36-24-12-10-22(8-6-2)18-26(24)34-4/h9-12,17-18H,5-8,13-16,19-20H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C28H38N2O6
Molecular Weight	498.6111
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.kyorin-pharm.co.jp/prodinfo/medicine/pdf/KYORIN_AP2_Granules.pdf
Curator's Comment: Description was created based on several sources, including http://www.rad-ar.or.jp/siori/english/kekka.cgi?n=1609

Simetride is a non-narcotic analgesic, it is an ingredient of Kyorin AP2 (a combination of Simetride and Anhydrous Caffeine (40:1)) in Japan. Kyorin AP2 is used to treat low back pain, symptomatic neuralgia, headache, menstrual pain, pharyngalgia/earache due to inflammation, toothache, postoperative pain.

CNS Activity

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Pain 614 Sources: http://www.kyorin-pharm.co.jp/prodinfo/medicine/pdf/KYORIN_AP2_Granules.pdf	Palliative		Approved 8429	KYORIN AP-2 Approved Use Low back pain, symptomatic neuralgia, headache, menstrual pain, pharyngalgia/earache due to inflammation, toothache, postoperative pain Launch Date 1965

PubMed

Title	Date	PubMed
Reversal of resistance to vincristine in P388 leukemia by various polycyclic clinical drugs, with a special emphasis on quinacrine.	1988 Apr 15	3349478

Patents

Sample Use Guides

In Vivo Use Guide

The usual adult dosage for oral use is 0.5 g of Simetride three or four times daily

Route of Administration: Oral

In Vitro Use Guide

Simetride (3ug/ml) exhibited a significant VCR uptake-enhancing effect by leukemia P388/VCR cells.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:11:06 GMT 2023` Edited by `admin` on `Fri Dec 15 16:11:06 GMT 2023`
Record UNII	QU6P2P8XLW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIMETRIDE

Official Name

English

SIMETRIDE [JAN]

Common Name

English

simetride [INN]

Common Name

English

SIMETRIDE [MI]

Common Name

English

Simetride [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241