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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C19H32N2.3C4H4O4
Molecular Weight 925.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TEDISAMIL SESQUIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.C(C1CC1)N2CC3CN(CC4CC4)CC(C2)C35CCCC5.C(C6CC6)N7CC8CN(CC9CC9)CC(C7)C8%10CCCC%10

InChI

InChIKey=AZPYPAVFNGFTGB-VQYXCCSOSA-N
InChI=1S/2C19H32N2.3C4H4O4/c2*1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16;3*5-3(6)1-2-4(7)8/h2*15-18H,1-14H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H32N2
Molecular Weight 288.4708
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:04:28 UTC 2023
Edited
by admin
on Fri Dec 15 16:04:28 UTC 2023
Record UNII
Y4HRG433UU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEDISAMIL SESQUIFUMARATE
DASH   MI   USAN   WHO-DD  
USAN  
Official Name English
KC-8857 SESQUIFUMARATE
Code English
TEDISAMIL SESQUIFUMARATE [USAN]
Common Name English
Tedisamil sesquifumarate [WHO-DD]
Common Name English
PULZIUM
Brand Name English
SPIRO(CYCLOPENTANE-1,9'-(3,7)DIAZABICYCLO(3.3.1)NONANE), 3',7'-BIS(CYCLOPROPYLMETHYL)-, (2E)-2-BUTENEDIOATE (2:3)
Common Name English
TEDISAMIL SESQUIFUMARATE [MI]
Common Name English
BIS(3',7'-BIS(CYCLOPROPYLMETHYL)SPIRO(CYCLOPENTANE-1,9'-(3,7)DIAZABICYCLO(3.3.1)NONANE))DIHYDROGEN TRIS((2E-BUT-2-ENEDIOATE)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C93038
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
NCI_THESAURUS C47793
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL113461
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
CAS
150501-62-5
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
USAN
RR-134
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
NCI_THESAURUS
C73802
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
PUBCHEM
11498917
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
SMS_ID
100000088488
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
EVMPD
SUB22754
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
CHEBI
134747
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
MERCK INDEX
m10516
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY Merck Index
FDA UNII
Y4HRG433UU
Created by admin on Fri Dec 15 16:04:28 UTC 2023 , Edited by admin on Fri Dec 15 16:04:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY