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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H33N13O7S2
Molecular Weight 691.742
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FR-295389 FREE BASE

SMILES

[H][C@]12SCC(CN3C=C(N(CCCN)C(N)=N)C4=NCCN34)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C5=NSC(N)=N5)C(O)=O

InChI

InChIKey=CLRNKISLVNSGGQ-FQSRXVFLSA-N
InChI=1S/C25H33N13O7S2/c1-25(2,22(43)44)45-33-13(16-32-24(29)47-34-16)18(39)31-14-19(40)38-15(21(41)42)11(10-46-20(14)38)8-35-9-12(17-30-5-7-37(17)35)36(23(27)28)6-3-4-26/h9,14,20H,3-8,10,26H2,1-2H3,(H3,27,28)(H,31,39)(H,41,42)(H,43,44)(H2,29,32,34)/b33-13-/t14-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H33N13O7S2
Molecular Weight 691.742
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:58:42 UTC 2023
Edited
by admin
on Sat Dec 16 10:58:42 UTC 2023
Record UNII
1PQ14PZ1PZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FR-295389 FREE BASE
Common Name English
Code System Code Type Description
PUBCHEM
91864507
Created by admin on Sat Dec 16 10:58:42 UTC 2023 , Edited by admin on Sat Dec 16 10:58:42 UTC 2023
PRIMARY
CAS
1019207-71-6
Created by admin on Sat Dec 16 10:58:42 UTC 2023 , Edited by admin on Sat Dec 16 10:58:42 UTC 2023
PRIMARY
CAS
954109-70-7
Created by admin on Sat Dec 16 10:58:42 UTC 2023 , Edited by admin on Sat Dec 16 10:58:42 UTC 2023
ALTERNATIVE
FDA UNII
1PQ14PZ1PZ
Created by admin on Sat Dec 16 10:58:42 UTC 2023 , Edited by admin on Sat Dec 16 10:58:42 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY