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Details

Stereochemistry RACEMIC
Molecular Formula C19H25ClN4O3
Molecular Weight 392.88
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-chloro-10-hydroxyspiro[1,3,5,11-tetrazatricyclo[7.4.0.0<sup>2,7</sup>]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate

SMILES

CC(C)(C)OC(=O)N1CC2(CCCCC2)N3C(=CC4=C3N=C(Cl)N=C4)C1O

InChI

InChIKey=KXEBUISPBLNADJ-UHFFFAOYSA-N
InChI=1S/C19H25ClN4O3/c1-18(2,3)27-17(26)23-11-19(7-5-4-6-8-19)24-13(15(23)25)9-12-10-21-16(20)22-14(12)24/h9-10,15,25H,4-8,11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C19H25ClN4O3
Molecular Weight 392.88
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:42 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:42 GMT 2025
Record UNII
8TJ6WL3LYT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 4-chloro-10-hydroxyspiro[1,3,5,11-tetrazatricyclo[7.4.0.0<sup>2,7</sup>]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-11-carboxylate
Preferred Name English
Code System Code Type Description
FDA UNII
8TJ6WL3LYT
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
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CAS
2745062-17-1
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
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PUBCHEM
162360329
Created by admin on Wed Apr 02 20:52:42 GMT 2025 , Edited by admin on Wed Apr 02 20:52:42 GMT 2025
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