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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C22H28N2O5.2ClH.H2O
Molecular Weight 891.873
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RESERPIC ACID HYDROCHLORIDE HEMIHYDRATE

SMILES

O.Cl.Cl.CO[C@H]1[C@H](O)C[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@H]3C[C@@H]2[C@@H]1C(O)=O.CO[C@H]6[C@H](O)C[C@@H]7CN8CCC9=C(NC%10=C9C=CC(OC)=C%10)[C@H]8C[C@@H]7[C@@H]6C(O)=O

InChI

InChIKey=LMWCWTONZRYETP-YATYINEESA-N
InChI=1S/2C22H28N2O5.2ClH.H2O/c2*1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12;;;/h2*3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27);2*1H;1H2/t2*11-,15+,17-,18-,19+,21+;;;/m11.../s1

HIDE SMILES / InChI
Reserpic acid, a derivative of the antihypertensive drug reserpine, can inhibit norepinephrine uptake although it is much less effective than reserpine itself. Recently was shown, that reserpic acid possessed a strong binding to the pancreatic lipase, a major target for controlling the obesity.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P16233
Gene ID: 5406.0
Gene Symbol: PNLIP
Target Organism: Homo sapiens (Human)
Target ID: P23975
Gene ID: 6530.0
Gene Symbol: SLC6A2
Target Organism: Homo sapiens (Human)
4.5 µM [Ki]
Target ID: P23975
Gene ID: 6530.0
Gene Symbol: SLC6A2
Target Organism: Homo sapiens (Human)
4.5 µM [Ki]
Target ID: P16233
Gene ID: 5406.0
Gene Symbol: PNLIP
Target Organism: Homo sapiens (Human)
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Medicinal plant phytochemicals and their inhibitory activities against pancreatic lipase: molecular docking combined with molecular dynamics simulation approach.
2018-05
Reserpic acid as an inhibitor of norepinephrine transport into chromaffin vesicle ghosts.
1985-09-15
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Reserpic acid inhibits norepinephrine uptake although it is much less effective than reserpine itself. A Lineweaver-Burk analysis indicated that reserpic acid was a competitive inhibitor of norepinephrine transport. In the experiments: Ghosts were suspended in 1.0 ml of 0.4 M sucrose, 40 mM Mes, pH 6.8 or 1.0 ml of 0.4 M sucrose, 40 mM Hepes, pH 7.8, containing 5 mM ATP, 5 mM MgSO4, and concentration of inhibitor (reserpic acid): 3-300 uM. Chromaffin vesicles were prepared from the bovine adrenal medulla. Ghosts were prepared by resuspending the vesicles in the lysis medium.
Name Type Language
RESERPIC ACID HYDROCHLORIDE HEMIHYDRATE [MI]
Preferred Name English
RESERPIC ACID HYDROCHLORIDE HEMIHYDRATE
MI  
Common Name English
RESERPIC ACID HYDROCHLORIDE HYDRATE
Common Name English
YOHIMBAN-16-CARBOXYLIC ACID, 18-HYDROXY-11,17-DIMETHOXY-, MONOHYDROCHLORIDE, HYDRATE (2:1), (3.BETA.,16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10409621
Created by admin on Mon Mar 31 23:02:48 GMT 2025 , Edited by admin on Mon Mar 31 23:02:48 GMT 2025
PRIMARY
MERCK INDEX
m9533
Created by admin on Mon Mar 31 23:02:48 GMT 2025 , Edited by admin on Mon Mar 31 23:02:48 GMT 2025
PRIMARY Merck Index
FDA UNII
0GIZ7M31TN
Created by admin on Mon Mar 31 23:02:48 GMT 2025 , Edited by admin on Mon Mar 31 23:02:48 GMT 2025
PRIMARY
CAS
6105-91-5
Created by admin on Mon Mar 31 23:02:48 GMT 2025 , Edited by admin on Mon Mar 31 23:02:48 GMT 2025
PRIMARY
PUBCHEM
72710651
Created by admin on Mon Mar 31 23:02:48 GMT 2025 , Edited by admin on Mon Mar 31 23:02:48 GMT 2025
PRIMARY