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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27F2N5O4.C4H11NO
Molecular Weight 564.6246
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nesvategrast isobutanolammonium

SMILES

CC(C)(N)CO.OC(=O)C[C@H](N1CCN(CCCC2=CC=C3CCCNC3=N2)C1=O)C4=CN=C(OC(F)F)C=C4

InChI

InChIKey=JXIBMMTVMVUJOQ-FERBBOLQSA-N
InChI=1S/C23H27F2N5O4.C4H11NO/c24-22(25)34-19-8-6-16(14-27-19)18(13-20(31)32)30-12-11-29(23(30)33)10-2-4-17-7-5-15-3-1-9-26-21(15)28-17;1-4(2,5)3-6/h5-8,14,18,22H,1-4,9-13H2,(H,26,28)(H,31,32);6H,3,5H2,1-2H3/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C23H27F2N5O4
Molecular Weight 475.4884
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H11NO
Molecular Weight 89.1362
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 Sat Dec 16 12:37:06 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:06 GMT 2023
Record UNII
07GC9H6E6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nesvategrast isobutanolammonium
Common Name English
OTT-166
Code English
SF-0166
Code English
1-HYDROXY-2-METHYLPROPAN-2-AMINIUM (S)-3-(6-(DIFLUOROMETHOXY)PYRIDIN-3-YL)-3-(OXO-2-3-(3-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPYL)IMIDAZOLIDIN-1-YL)PROPANOATE
Common Name English
OTT166
Code English
Code System Code Type Description
FDA UNII
07GC9H6E6F
Created by admin on Sat Dec 16 12:37:06 GMT 2023 , Edited by admin on Sat Dec 16 12:37:06 GMT 2023
PRIMARY
PUBCHEM
139593519
Created by admin on Sat Dec 16 12:37:06 GMT 2023 , Edited by admin on Sat Dec 16 12:37:06 GMT 2023
PRIMARY
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