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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33F2N5O5.C4H6O6
Molecular Weight 707.6758
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-771688 TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)C3=NC=CC=C3)C(=O)N1)C4=CC=C(F)C(F)=C4)C(=O)OC

InChI

InChIKey=JZGFQNUZPKINEE-FUTSCGIJSA-N
InChI=1S/C28H33F2N5O5.C4H6O6/c1-39-17-23-24(26(36)40-2)25(19-7-8-20(29)21(30)16-19)35(28(38)33-23)27(37)32-12-5-13-34-14-9-18(10-15-34)22-6-3-4-11-31-22;5-1(3(7)8)2(6)4(9)10/h3-4,6-8,11,16,18,25H,5,9-10,12-15,17H2,1-2H3,(H,32,37)(H,33,38);1-2,5-6H,(H,7,8)(H,9,10)/t25-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C28H33F2N5O5
Molecular Weight 557.5889
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:24:58 GMT 2023
Edited
by admin
on Fri Dec 15 16:24:58 GMT 2023
Record UNII
0O6DK6NFDC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-771688 TARTRATE
Code English
5-PYRIMIDINECARBOXYLIC ACID, 6-(3,4-DIFLUOROPHENYL)-1,2,3,6-TETRAHYDRO-4-(METHOXYMETHYL)-2-OXO-1-(((3-(4-(2-PYRIDINYL)-1-PIPERIDINYL)PROPYL)AMINO)CARBONYL)-, METHYL ESTER, (6S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
0O6DK6NFDC
Created by admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
PRIMARY
PUBCHEM
11445465
Created by admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
PRIMARY
CAS
220497-97-2
Created by admin on Fri Dec 15 16:24:58 GMT 2023 , Edited by admin on Fri Dec 15 16:24:58 GMT 2023
PRIMARY
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