U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C22H32N2O6.2ClH
Molecular Weight 493.421
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXOPRENALINE DIHYDROCHLORIDE

SMILES

Cl.Cl.OC(CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1)C2=CC=C(O)C(O)=C2

InChI

InChIKey=LECFJMMCVCBLPN-UHFFFAOYSA-N
InChI=1S/C22H32N2O6.2ClH/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16;;/h5-8,11-12,21-30H,1-4,9-10,13-14H2;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H32N2O6
Molecular Weight 420.4993
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:50:46 UTC 2023
Edited
by admin
on Sat Dec 16 07:50:46 UTC 2023
Record UNII
97TDI0239I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXOPRENALINE DIHYDROCHLORIDE
MI  
Common Name English
Hexoprenaline hydrochloride [WHO-DD]
Common Name English
HEXOPRENALINE HYDROCHLORIDE
WHO-DD  
Common Name English
HEXOPRENALINE HCL
Common Name English
HEXOPRENALINE DIHYDROCHLORIDE [MI]
Common Name English
BENZYL ALCOHOL, .ALPHA.,.ALPHA.'-(HEXAMETHYLENEBIS(IMINOMETHYLENE))BIS(3,4-DIHYDROXY-, DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
SMS_ID
100000128147
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
CAS
4323-43-7
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
PUBCHEM
20321
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID60962973
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
224-354-2
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
FDA UNII
97TDI0239I
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
EVMPD
SUB34902
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY
MERCK INDEX
m6013
Created by admin on Sat Dec 16 07:50:46 UTC 2023 , Edited by admin on Sat Dec 16 07:50:46 UTC 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY