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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H48N12O2.6C2H4O2
Molecular Weight 873.0075
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIRAPARANTAG ACETATE

SMILES

CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCNC(N)=N)CC1

InChI

InChIKey=WUFUANOMVSQJHE-DCHRMDIPSA-N
InChI=1S/C22H48N12O2.6C2H4O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28;6*1-2(3)4/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32);6*1H3,(H,3,4)/t17-,18-;;;;;;/m0....../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CIRAPARANTAG ACETATE
USAN   WHO-DD  
USAN  
Official Name English
Ciraparantag acetate [WHO-DD]
Common Name English
CIRAPARANTAG ACETATE [USAN]
Common Name English
CIRAPARANTAG HEXAACETATE
Common Name English
PER977 ACETATE
Code English
PER-977 ACETATE
Code English
PENTANAMIDE, N,N'-(1,4-PIPERAZINEDIYLDI-3,1-PROPANEDIYL)BIS(2-AMINO-5-((AMINOIMINOMETHYL)AMINO)-, (2S,2'S)-, ACETATE (1:6)
Systematic Name English
N1 ,N1'-(PIPERAZINE-1 ,4-DIYLBIS(PROPANE-1 ,3-DIYL))BIS-L-ARGININAMIDE HEXAACETATE
Systematic Name English
Code System Code Type Description
PUBCHEM
91668188
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
CAS
1565823-56-4
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
CAS
1644388-83-9
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
NON-SPECIFIC STOICHIOMETRY
NCI_THESAURUS
C166855
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
FDA UNII
5OL0F5CCWI
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544919
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
USAN
BC-148
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY
SMS_ID
300000036138
Created by admin on Sat Dec 16 08:38:58 UTC 2023 , Edited by admin on Sat Dec 16 08:38:58 UTC 2023
PRIMARY