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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H88N4O3.4ClH
Molecular Weight 879.049
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CSA-131

SMILES

Cl.Cl.Cl.Cl.CCCCCCCCCCCCNCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCCN)[C@]12C)OCCCN)OCCCN

InChI

InChIKey=OQDFRRYXLWFIRZ-LMZPWUNYSA-N
InChI=1S/C45H88N4O3.4ClH/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;4*1H/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

Molecular Formula ClH
Molecular Weight 36.461
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 Wed Apr 02 16:51:51 GMT 2025
Edited
by admin
on Wed Apr 02 16:51:51 GMT 2025
Record UNII
AU6JFB4C43
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CSA-131
Code English
Cholan-24-amine, 3,7,12-tris(3-aminopropoxy)-N-dodecyl-, hydrochloride (1:4), (3?,5?,7?,12?)-
Preferred Name English
Code System Code Type Description
CAS
1425489-31-1
Created by admin on Wed Apr 02 16:51:51 GMT 2025 , Edited by admin on Wed Apr 02 16:51:51 GMT 2025
PRIMARY
FDA UNII
AU6JFB4C43
Created by admin on Wed Apr 02 16:51:51 GMT 2025 , Edited by admin on Wed Apr 02 16:51:51 GMT 2025
PRIMARY
PUBCHEM
167713274
Created by admin on Wed Apr 02 16:51:51 GMT 2025 , Edited by admin on Wed Apr 02 16:51:51 GMT 2025
PRIMARY
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