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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25N7O4S.C6H8O7
Molecular Weight 687.678
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BCX-9250

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC(=CC(OC)=C1OC)N2C=NC(NC3=C4C=CSC4=NC(=N3)N5CCC[C@H]5C(N)=O)=C2

InChI

InChIKey=BPTGRUPMSNCNRC-RSAXXLAASA-N
InChI=1S/C23H25N7O4S.C6H8O7/c1-32-16-9-13(10-17(33-2)19(16)34-3)29-11-18(25-12-29)26-21-14-6-8-35-22(14)28-23(27-21)30-7-4-5-15(30)20(24)31;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,8-12,15H,4-5,7H2,1-3H3,(H2,24,31)(H,26,27,28);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C23H25N7O4S
Molecular Weight 495.554
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H8O7
Molecular Weight 192.1235
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 14:58:28 GMT 2023
Edited
by admin
on Sat Dec 16 14:58:28 GMT 2023
Record UNII
E2N83U70IX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BCX-9250
Code English
BCX9250
Code English
(S)-1-(4-(1-(3,4,5-trimethyloxyphenyl)-1H-imidazol-4-ylamino)thieno[2,3-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide citrate
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 896622
Created by admin on Sat Dec 16 14:58:28 GMT 2023 , Edited by admin on Sat Dec 16 14:58:28 GMT 2023
Code System Code Type Description
FDA UNII
E2N83U70IX
Created by admin on Sat Dec 16 14:58:28 GMT 2023 , Edited by admin on Sat Dec 16 14:58:28 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY