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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36FN3O2.ClH
Molecular Weight 502.064
Optical Activity ( + )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UREA, N-(3-ACETYLPHENYL)-N'-((1R,2S)-2-(((3S)-3-((4-FLUOROPHENYL)METHYL)-1-PIPERIDINYL)METHYL)CYCLOHEXYL)-, MONOHYDROCHLORIDE

SMILES

Cl.CC(=O)C1=CC(NC(=O)N[C@@H]2CCCC[C@H]2CN3CCC[C@@H](CC4=CC=C(F)C=C4)C3)=CC=C1

InChI

InChIKey=YOEVWIHASZQLBO-RYYABVLLSA-N
InChI=1S/C28H36FN3O2.ClH/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21;/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34);1H/t22-,24-,27+;/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 C28H36FN3O2
Molecular Weight 465.6027
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:31:24 GMT 2023
Edited
by admin
on Sat Dec 16 18:31:24 GMT 2023
Record UNII
M3B6D8KC9W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UREA, N-(3-ACETYLPHENYL)-N'-((1R,2S)-2-(((3S)-3-((4-FLUOROPHENYL)METHYL)-1-PIPERIDINYL)METHYL)CYCLOHEXYL)-, MONOHYDROCHLORIDE
Systematic Name English
UREA, N-(3-ACETYLPHENYL)-N'-((1R,2S)-2-(((3S)-3-((4-FLUOROPHENYL)METHYL)-1-PIPERIDINYL)METHYL)CYCLOHEXYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
275810-56-5
Created by admin on Sat Dec 16 18:31:24 GMT 2023 , Edited by admin on Sat Dec 16 18:31:24 GMT 2023
PRIMARY
FDA UNII
M3B6D8KC9W
Created by admin on Sat Dec 16 18:31:24 GMT 2023 , Edited by admin on Sat Dec 16 18:31:24 GMT 2023
PRIMARY
PUBCHEM
11466197
Created by admin on Sat Dec 16 18:31:24 GMT 2023 , Edited by admin on Sat Dec 16 18:31:24 GMT 2023
PRIMARY
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