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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H44O12
Molecular Weight 584.6525
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OUABAIN

SMILES

[H][C@@]6(O[C@H]1C[C@@H](O)[C@]2(CO)[C@@]3([H])[C@H](O)C[C@]4(C)[C@H](CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1)C5=CC(=O)OC5)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O

InChI

InChIKey=LPMXVESGRSUGHW-HBYQJFLCSA-N
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

HIDE SMILES / InChI
Molecular Formula C29H44O12
Molecular Weight 584.6525
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:22 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:22 UTC 2023
Record UNII
5ACL011P69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OUABAIN
EP   MART.   MI   WHO-DD  
Common Name English
Ouabain [WHO-DD]
Common Name English
(1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)-3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXYCARD-20(22)-ENOLIDE
Common Name English
NSC-25485
Code English
G-STROPHANTHIN [MI]
Common Name English
OUABAIN ANHYDROUS [HSDB]
Common Name English
CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXY-, (1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)-
Common Name English
G-STROPHANTHIN
JAN   MI  
Common Name English
ACOCANTHERIN
Common Name English
OUABAIN [MI]
Common Name English
OUABAIN [EP MONOGRAPH]
Common Name English
STROPHANTIN-G
Common Name English
OUABAIN [MART.]
Common Name English
GRATUS STROPHANTHIN
Common Name English
G-STROPHANTHIN [JAN]
Common Name English
Classification Tree Code System Code
WHO-ATC C01AC01
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
WHO-VATC QC01AC01
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
Code System Code Type Description
MESH
D010042
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
CHEBI
472805
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
ECHA (EC/EINECS)
211-139-3
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
SMS_ID
100000076204
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
FDA UNII
5ACL011P69
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
HSDB
3519
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL222863
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
PUBCHEM
439501
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
DRUG CENTRAL
2004
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
IUPHAR
4826
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
EVMPD
SUB14721MIG
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
RXCUI
7762
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY RxNorm
WIKIPEDIA
OUABAIN
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
DRUG BANK
DB01092
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
MERCK INDEX
m8270
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY Merck Index
CHEBI
145798
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
NSC
25485
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID0043765
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
CAS
630-60-4
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY
MERCK INDEX
m10252
Created by admin on Fri Dec 15 16:11:23 UTC 2023 , Edited by admin on Fri Dec 15 16:11:23 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of OUABAIN OCTAHYDRATE
SALT/SOLVATE -> PARENT
SOLUTE CARRIER FAMILY 21 MEMBER 3
TRANSPORTER -> SUBSTRATE
OATP-B
TRANSPORTER -> SUBSTRATE
Structure of OUABAIN OCTAHYDRATE
SALT/SOLVATE -> PARENT
Structure of OUABAIN OCTAHYDRATE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of OUABAIN
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