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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30ClFN4O3.ClH
Molecular Weight 549.464
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TALMAPIMOD HYDROCHLORIDE

SMILES

Cl.C[C@H]1CN([C@H](C)CN1CC2=CC=C(F)C=C2)C(=O)C3=C(Cl)C=C4N(C)C=C(C(=O)C(=O)N(C)C)C4=C3

InChI

InChIKey=FOJUFGQLUOOBQP-MCJVGQIASA-N
InChI=1S/C27H30ClFN4O3.ClH/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28;/h6-11,15-17H,12-14H2,1-5H3;1H/t16-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H30ClFN4O3
Molecular Weight 513.004
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:45:54 UTC 2023
Edited
by admin
on Fri Dec 15 15:45:54 UTC 2023
Record UNII
K6T0L6I32X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TALMAPIMOD HYDROCHLORIDE
Common Name English
2-(6-CHLORO-5-(((2R,5S)-4-(4-FLUOROBENZYL)-2,5-DIMETHYLPIPERAZIN-1-YL)CARBONYL)-1-METHYL-1H-INDOL-3-YL)-N,N-DIMETHYL-2-OXOACETAMIDE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
309915-12-6
Created by admin on Fri Dec 15 15:45:54 UTC 2023 , Edited by admin on Fri Dec 15 15:45:54 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
16035045
Created by admin on Fri Dec 15 15:45:54 UTC 2023 , Edited by admin on Fri Dec 15 15:45:54 UTC 2023
PRIMARY
FDA UNII
K6T0L6I32X
Created by admin on Fri Dec 15 15:45:54 UTC 2023 , Edited by admin on Fri Dec 15 15:45:54 UTC 2023
PRIMARY
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