PYRROBUTAMINE NAPHTHALENE DISULFONATE

US Previously Marketed

First approved in 1952

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C20H22ClN.C10H8O6S2
Molecular Weight	911.994
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of PYRROBUTAMINE NAPHTHALENE DISULFONATE

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC2=C(C=CC=C12)S(O)(=O)=O.ClC3=CC=C(CC(=CCN4CCCC4)C5=CC=CC=C5)C=C3.ClC6=CC=C(CC(=CCN7CCCC7)C8=CC=CC=C8)C=C6

InChI

InChIKey=OCOQSLMGOIWOJJ-UHFFFAOYSA-N

InChI=1S/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C20H22ClN
Molecular Weight	311.848
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C10H8O6S2
Molecular Weight	288.297
Charge	0
Count

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

Description
Sources: https://www.drugfuture.com/chemdata/pyrrobutamine.html | https://www.ncbi.nlm.nih.gov/pubmed/13114796

PYRROBUTAMINE is a potent H1-antihistamine. H1-antihistamines interfere with the agonist action of histamine at the H1 receptor and are administered to attenuate the inflammatory process in order to treat conditions such as allergic rhinitis, allergic conjunctivitis, and urticaria.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Allergy 44 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14949084	Palliative		Approved 8429	Pyronil Approved Use Antihistaminic

Sourcing

Vendor/Aggregator	ID	URL
Alfa Chemistry	ACM28296642
Compound Cloud	5284614
Norris Pharm	NSZB-A030895
Toronto Research Chemicals	P997800
ZINC	ZINC000004474657	http://zinc15.docking.org/substances/ZINC000004474657
ZINC	ZINC000015848271	http://zinc15.docking.org/substances/ZINC000015848271
eMolecules	45955538

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:24:30 UTC 2023` Edited by `admin` on `Fri Dec 15 15:24:30 UTC 2023`
Record UNII	144X0H6HW6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRROBUTAMINE NAPHTHALENE DISULFONATE

Common Name

English

PYRROLIDINE, 1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTENYL)-, 1,5-NAPHTHALENEDISULFONATE (2:1)

Common Name

English

1,5-NAPHTHALENEDISULFONIC ACID, COMPD. WITH 1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTEN-1-YL)PYRROLIDINE (1:2)

Common Name

English

1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTENYL)-PYRROLIDINE 1,5-NAPHTHALENEDISULFONATE

Systematic Name

English

Code System Code Type Description

FDA UNII

144X0H6HW6