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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H38N4O8.ClH
Molecular Weight 655.138
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RPR-121056 hydrochloride

SMILES

Cl.CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC5=C1C=C(OC(=O)N6CCC(CC6)NCCCCC(O)=O)C=C5

InChI

InChIKey=YVYFNMPEYKRHHC-WAQYZQTGSA-N
InChI=1S/C33H38N4O8.ClH/c1-3-21-22-15-20(45-32(42)36-13-10-19(11-14-36)34-12-6-5-7-28(38)39)8-9-26(22)35-29-23(21)17-37-27(29)16-25-24(30(37)40)18-44-31(41)33(25,43)4-2;/h8-9,15-16,19,34,43H,3-7,10-14,17-18H2,1-2H3,(H,38,39);1H/t33-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C33H38N4O8
Molecular Weight 618.6768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:24:01 GMT 2025
Edited
by admin
on Wed Apr 02 21:24:01 GMT 2025
Record UNII
8TK5EV2S6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Piperidinecarboxylic acid, 4-[(4-carboxybutyl)amino]-, 1-(4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-9-yl) ester, monohydrochloride, (S)-
Preferred Name English
RPR-121056 hydrochloride
Code English
Code System Code Type Description
EPA CompTox
DTXSID40747745
Created by admin on Wed Apr 02 21:24:01 GMT 2025 , Edited by admin on Wed Apr 02 21:24:01 GMT 2025
PRIMARY
PUBCHEM
71316538
Created by admin on Wed Apr 02 21:24:01 GMT 2025 , Edited by admin on Wed Apr 02 21:24:01 GMT 2025
PRIMARY
FDA UNII
8TK5EV2S6Z
Created by admin on Wed Apr 02 21:24:01 GMT 2025 , Edited by admin on Wed Apr 02 21:24:01 GMT 2025
PRIMARY
CAS
181629-47-0
Created by admin on Wed Apr 02 21:24:01 GMT 2025 , Edited by admin on Wed Apr 02 21:24:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE