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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24FN3O2.2ClH
Molecular Weight 406.322
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KML-010 DIHYDROCHLORIDE

SMILES

Cl.Cl.CN1CNC(=O)C12CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2

InChI

InChIKey=CRNPQGVLRSHXRJ-UHFFFAOYSA-N
InChI=1S/C18H24FN3O2.2ClH/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14;;/h4-7H,2-3,8-13H2,1H3,(H,20,24);2*1H

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 C18H24FN3O2
Molecular Weight 333.4005
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 19:18:12 UTC 2023
Edited
by admin
on Thu Jul 06 19:18:12 UTC 2023
Record UNII
VT3KQC3U4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KML-010 DIHYDROCHLORIDE
Code English
1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE, 8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-1-METHYL-, HYDROCHLORIDE (1:2)
Systematic Name English
1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE, 8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-1-METHYL-, DIHYDROCHLORIDE
Systematic Name English
1,3,8-TRIAZASPIRO(4.5)DECAN-4-ONE, 8-(3-(P-FLUOROBENZOYL)PROPYL)-1-METHYL-, DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
1045-22-3
Created by admin on Thu Jul 06 19:18:12 UTC 2023 , Edited by admin on Thu Jul 06 19:18:12 UTC 2023
PRIMARY
FDA UNII
VT3KQC3U4E
Created by admin on Thu Jul 06 19:18:12 UTC 2023 , Edited by admin on Thu Jul 06 19:18:12 UTC 2023
PRIMARY
PUBCHEM
155907984
Created by admin on Thu Jul 06 19:18:12 UTC 2023 , Edited by admin on Thu Jul 06 19:18:12 UTC 2023
PRIMARY
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