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Details

Stereochemistry MIXED
Molecular Formula C27H30N2.C6H8O7
Molecular Weight 574.664
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of SU-15049 CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C1CCN(C1)C2CC(C(C(C2)C3=CC=CC=C3)C4=NC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=ZZMNFTXEFGZAOA-UHFFFAOYSA-N
InChI=1S/C27H30N2.C6H8O7/c1-3-11-21(12-4-1)24-19-23(29-17-9-10-18-29)20-25(22-13-5-2-6-14-22)27(24)26-15-7-8-16-28-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8,11-16,23-25,27H,9-10,17-20H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
SU-15049 CITRATE
Code English
PYRIDINE, 2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)PYRIDINE CITRATE
Systematic Name English
Code System Code Type Description
CAS
23247-48-5
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
PUBCHEM
3045978
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
FDA UNII
L53MX76TCU
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID70976889
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
PRIMARY
CAS
61361-38-4
Created by admin on Fri Dec 15 15:10:26 GMT 2023 , Edited by admin on Fri Dec 15 15:10:26 GMT 2023
NON-SPECIFIC STOICHIOMETRY