PRETIADIL

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H31N3O2S
Molecular Weight	449.608
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CC1=CC=CC=C1)N(C)CCCN2C3=CC=CC=C3N(C)S(=O)(=O)C4=CC=CC=C24

InChI

InChIKey=FYVHKPBTSMGGBG-UHFFFAOYSA-N

InChI=1S/C26H31N3O2S/c1-21(20-22-12-5-4-6-13-22)27(2)18-11-19-29-24-15-8-7-14-23(24)28(3)32(30,31)26-17-10-9-16-25(26)29/h4-10,12-17,21H,11,18-20H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C26H31N3O2S
Molecular Weight	449.608
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19710121&CC=DE&NR=2032341A1&KC=A1

Pretiadil is a thiadiazepine dioxide derivative patented by American pharmaceutical company Bristol-Myers Co. as a coronary vasodilating compound.

Originator

Approval Year

Patents

Sample Use Guides

In Vivo Use Guide

1400 mg/kg LD50 on oral administration to mice

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:37:59 GMT 2023` Edited by `admin` on `Fri Dec 15 16:37:59 GMT 2023`
Record UNII	9MG4L920HS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRETIADIL

Official Name

English

pretiadil [INN]

Common Name

English

DIBENZO(C,F)(1,2,5)THIADIAZEPINE-11(6H)-PROPANAMINE, N,6-DIMETHYL-N-(1-METHYL-2-PHENYLETHYL)-, 5,5-DIOXIDE

Systematic Name

English

DIBENZO(1,2,5)THIADIAZEPINE, 6,11-DIHYDRO-6-METHYL-11-(3-(METHYL(.ALPHA.-METHYLPHENETHYL)AMINO)PROPYL)-, 5,5-DIOXIDE

Systematic Name

English

6,11-DIHYDRO-6-METHYL-11-)3-(METHYL(.ALPHA.-METHYLPHENETHYL)AMINO)PROPYL)DIBENZO(1,2,5)THIADIAZEPINE 5,5-DIOXIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707