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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22ClN.2H3O4P
Molecular Weight 507.839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PYRROBUTAMINE PHOSPHATE

SMILES

OP(O)(O)=O.OP(O)(O)=O.ClC1=CC=C(CC(=CCN2CCCC2)C3=CC=CC=C3)C=C1

InChI

InChIKey=UAAAHOLLLRWGGL-UHFFFAOYSA-N
InChI=1S/C20H22ClN.2H3O4P/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;2*1-5(2,3)4/h1-3,6-12H,4-5,13-16H2;2*(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Pyronil

Approved Use

Antihistaminic
PubMed

PubMed

TitleDatePubMed
Antihistaminic action of pyronil.
1952 Jul
Chemical and pharmacological characteristics of the antihistaminic compound, pyrrobutamine.
1953 Nov-Dec
Substance Class Chemical
Created
by admin
on Wed Jul 05 22:50:19 UTC 2023
Edited
by admin
on Wed Jul 05 22:50:19 UTC 2023
Record UNII
6B6107K1Q6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRROBUTAMINE PHOSPHATE
WHO-DD  
Common Name English
PYRROBUTAMINE DIPHOSPHATE [MI]
Common Name English
Pyrrobutamine phosphate [WHO-DD]
Common Name English
PYRROBUTAMINE DIPHOSPHATE
MI  
Common Name English
PYRROLIDINE, 1-(4-(4-CHLOROPHENYL)-3-PHENYL-2-BUTENYL)-, PHOSPHATE (1:2)
Systematic Name English
1-(.GAMMA.-(P-CHLOROBENZYL)CINNAMYL)PYRROLIDINE PHOSPHATE (1:2)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
Code System Code Type Description
EVMPD
SUB15067MIG
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
MERCK INDEX
M9396
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY Merck Index
CAS
135-31-9
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID90859160
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
PUBCHEM
8668
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
SMS_ID
100000078916
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
FDA UNII
6B6107K1Q6
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL1697849
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
NCI_THESAURUS
C81136
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-185-3
Created by admin on Wed Jul 05 22:50:19 UTC 2023 , Edited by admin on Wed Jul 05 22:50:19 UTC 2023
PRIMARY
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ACTIVE MOIETY