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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H39N3O3.2C4H6O6
Molecular Weight 765.8012
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DS-3801A TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.C[C@H]1CN(CC2=CC=C(C=C2C)N(C)C(=O)[C@H]3CC[C@@H](CC3)OC4=CC=CC(CO)=C4)CCN1

InChI

InChIKey=NXWFUWCIIBJRMJ-FMUATUSSSA-N
InChI=1S/C28H39N3O3.2C4H6O6/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32;2*5-1(3(7)8)2(6)4(9)10/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t21-,23-,26-;2*1-,2-/m011/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 C28H39N3O3
Molecular Weight 465.6276
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 08:59:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:59:09 GMT 2023
Record UNII
CEZ1LN9UQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DS-3801A TARTRATE
Code English
DS-3801B
Code English
Code System Code Type Description
FDA UNII
CEZ1LN9UQR
Created by admin on Sat Dec 16 08:59:09 GMT 2023 , Edited by admin on Sat Dec 16 08:59:09 GMT 2023
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ACTIVE MOIETY