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Details

Stereochemistry EPIMERIC
Molecular Formula C37H70N4O3
Molecular Weight 618.9767
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENT-03

SMILES

C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCNCCCN

InChI

InChIKey=ILXYORNRQWAVQT-QVUQJGHASA-N
InChI=1S/C37H70N4O3/c1-26(10-7-11-27(2)35(43)44)30-12-13-31-34-32(15-17-37(30,31)4)36(3)16-14-29(24-28(36)25-33(34)42)41-23-9-22-40-20-6-5-19-39-21-8-18-38/h26-34,39-42H,5-25,38H2,1-4H3,(H,43,44)/t26-,27?,28-,29+,30-,31+,32+,33-,34+,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H70N4O3
Molecular Weight 618.9767
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:44:59 GMT 2025
Edited
by admin
on Wed Apr 02 17:44:59 GMT 2025
Record UNII
DM3EKX84Y7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENT-03
Code English
Cholestan-26-oic acid, 3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-7-hydroxy-, (3?,5?,7?)-
Preferred Name English
Code System Code Type Description
PUBCHEM
168429557
Created by admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
PRIMARY
FDA UNII
DM3EKX84Y7
Created by admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
PRIMARY
CAS
2597832-98-7
Created by admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> EPIMER
DIASTEREOISOMER -> EPIMER
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ACTIVE MOIETY