CROMITRILE SODIUM

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H14N5O5.Na
Molecular Weight	427.3454
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].OC(COC1=CC=C(C=C1)C#N)COC2=CC=CC3=C2C(=O)C=C(O3)C4=NN=N[N-]4

InChI

InChIKey=DRMAOJOMESIGKD-UHFFFAOYSA-M

InChI=1S/C20H15N5O5.Na/c21-9-12-4-6-14(7-5-12)28-10-13(26)11-29-16-2-1-3-17-19(16)15(27)8-18(30-17)20-22-24-25-23-20;/h1-8,13,26H,10-11H2,(H,22,23,24,25,27);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C20H14N5O5
Molecular Weight	404.3557
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Description
Sources: https://books.google.ru/books?id=4Xrd6ydzB_kC&pg=PA17&lpg=PA17 | https://patents.google.com/patent/GB1457254A/en?q=GB1457254

Cromitrile is an antiallergic developed by Miles Laboratories Inc. The compound was also shown to possess bronchodilator and anti-inflammatory activity.

Approval Year

PubMed

Title	Date	PubMed
Intestinal absorption of aloin, aloe-emodin, and aloesin; A comparative study using two in vitro absorption models.	2009 Spring	20016696

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:07:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:07:16 GMT 2023`
Record UNII	Z9FYZ8P9ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CROMITRILE SODIUM

Official Name

English

(±)-P-(2-HYDROXY-3-((4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-5-YL)OXY)PROPOXY)BENZONITRILE MONOSODIUM SALT

Common Name

English

CROMITRILE SODIUM [USAN]

Common Name

English

TR-2855

Code

English

BENZONITRILE, 4-(2-HYDROXY-3-((4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-5-YL)OXY)PROPOXY)-, MONOSODIUM SALT, (±)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712