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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

Approval Year

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 Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
Code System Code Type Description
EVMPD
SUB15067MIG
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
MERCK INDEX
m9396
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY Merck Index
CAS
135-31-9
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID90859160
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
PUBCHEM
8668
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
SMS_ID
100000078916
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
FDA UNII
6B6107K1Q6
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL1697849
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
NCI_THESAURUS
C81136
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-185-3
Created by admin on Fri Dec 15 15:19:26 UTC 2023 , Edited by admin on Fri Dec 15 15:19:26 UTC 2023
PRIMARY