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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22ClN.2H3O4P
Molecular Weight 507.8395
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRROBUTAMINE PHOSPHATE

SMILES

c1ccc(cc1)C(=CCN2CCCC2)Cc3ccc(cc3)Cl.OP(=O)(O)O.OP(=O)(O)O

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 C20H22ClN
Molecular Weight 311.8491
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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 Sat Jun 26 02:42:37 UTC 2021
Edited
by admin
on Sat Jun 26 02:42:37 UTC 2021
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 DIPHOSPHATE
MI  
Common Name English
PYRROBUTAMINE PHOSPHATE [WHO-DD]
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 Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
Code System Code Type Description
EVMPD
SUB15067MIG
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
MERCK INDEX
M9396
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY Merck Index
CAS
135-31-9
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
PUBCHEM
8668
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
FDA UNII
6B6107K1Q6
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
ChEMBL
CHEMBL1697849
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
NCI_THESAURUS
C81136
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
ECHA (EC/EINECS)
205-185-3
Created by admin on Sat Jun 26 02:42:37 UTC 2021 , Edited by admin on Sat Jun 26 02:42:37 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY