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Details

Stereochemistry RACEMIC
Molecular Formula C17H26NO
Molecular Weight 260.3944
Optical Activity ( + / - )
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of RX-72601 anion

SMILES

C[N+]1(CCCC1)[C@H]2CCCC[C@H]2C3=CC(O)=CC=C3

InChI

InChIKey=OEEAVTSKIAPADB-IRXDYDNUSA-O
InChI=1S/C17H25NO/c1-18(11-4-5-12-18)17-10-3-2-9-16(17)14-7-6-8-15(19)13-14/h6-8,13,16-17H,2-5,9-12H2,1H3/p+1/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H26NO
Molecular Weight 260.3944
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:48:54 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:54 GMT 2025
Record UNII
8ENQ7B7VBU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RX-72601 anion
Code English
RX 72601 anion
Preferred Name English
rel-1-[(1R,2R)-2-(3-Hydroxyphenyl)cyclohexyl]-1-methylpyrrolidinium
Systematic Name English
Pyrrolidinium, 1-[(1R,2R)-2-(3-hydroxyphenyl)cyclohexyl]-1-methyl-, rel-
Systematic Name English
Pyrrolidinium, 1-[2-(3-hydroxyphenyl)cyclohexyl]-1-methyl-, cis-
Systematic Name English
Code System Code Type Description
FDA UNII
8ENQ7B7VBU
Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025
PRIMARY
PUBCHEM
10264558
Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025
PRIMARY
CAS
736081-06-4
Created by admin on Wed Apr 02 19:48:54 GMT 2025 , Edited by admin on Wed Apr 02 19:48:54 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY