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

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H88N4O3
Molecular Weight 733.2052
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CSA-131 FREE BASE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN)[C@H](C)CCCNCCCCCCCCCCCC

InChI

InChIKey=QLIRROPNTPTKGZ-VMMWGOJBSA-N
InChI=1S/C45H88N4O3/c1-5-6-7-8-9-10-11-12-13-14-27-49-28-15-19-35(2)38-20-21-39-43-40(34-42(45(38,39)4)52-31-18-26-48)44(3)23-22-37(50-29-16-24-46)32-36(44)33-41(43)51-30-17-25-47/h35-43,49H,5-34,46-48H2,1-4H3/t35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H88N4O3
Molecular Weight 733.2052
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:33:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:33:50 GMT 2023
Record UNII
YDX6XHB7X7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CSA-131 FREE BASE
Code English
(3α,5β,7α,12α)-3,7,12-Tris(3-aminopropoxy)-N-dodecylcholan-24-amine
Common Name English
Cholan-24-amine, 3,7,12-tris(3-aminopropoxy)-N-dodecyl-, (3α,5β,7α,12α)-
Common Name English
Code System Code Type Description
CAS
1419579-34-2
Created by admin on Sat Dec 16 19:33:50 GMT 2023 , Edited by admin on Sat Dec 16 19:33:50 GMT 2023
PRIMARY
PUBCHEM
71735947
Created by admin on Sat Dec 16 19:33:50 GMT 2023 , Edited by admin on Sat Dec 16 19:33:50 GMT 2023
PRIMARY
FDA UNII
YDX6XHB7X7
Created by admin on Sat Dec 16 19:33:50 GMT 2023 , Edited by admin on Sat Dec 16 19:33:50 GMT 2023
PRIMARY
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