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

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H74O19
Molecular Weight 991.1219
Optical Activity UNSPECIFIED
Defined Stereocenters 21 / 21
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENGITOXIN

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C5=CC(=O)OC5)[C@@]1(C)CC[C@@H](C2)O[C@H]6C[C@H](OC(C)=O)[C@H](O[C@H]7C[C@H](OC(C)=O)[C@H](O[C@H]8C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6

InChI

InChIKey=JDYLJSDIEBHXPO-ALNZGLKXSA-N
InChI=1S/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3/t24-,25-,26-,33-,34+,35+,36-,37+,38+,39+,40+,42+,43+,44+,45+,46-,47-,48-,49+,50-,51+/m1/s1

HIDE SMILES / InChI
Pengitoxin is a cardioactive glycoside. It shortens systolic time intervals. it has been used in the treatment of congestive heart failure.

Approval Year

Name Type Language
PENGITOXIN
INN   MART.   WHO-DD  
INN  
Official Name English
PENGITOXIN [MART.]
Common Name English
pengitoxin [INN]
Common Name English
Pengitoxin [WHO-DD]
Common Name English
GITOXIN PENTAACETATE
MI  
Common Name English
GITOXIN PENTAACETATE [MI]
Common Name English
Code System Code Type Description
EVMPD
SUB09666MIG
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID30222713
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
SMS_ID
100000082500
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
INN
1806
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
FDA UNII
15RPL803R9
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
PUBCHEM
20055093
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103906
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
NCI_THESAURUS
C166467
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
MERCK INDEX
m5739
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY Merck Index
CAS
7242-04-8
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
230-645-5
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY
MESH
C016034
Created by admin on Fri Dec 15 18:48:58 GMT 2023 , Edited by admin on Fri Dec 15 18:48:58 GMT 2023
PRIMARY