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Details

Stereochemistry RACEMIC
Molecular Formula C12H28N4O3.4ClH
Molecular Weight 422.219
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride, (2R,3S)-rel-

SMILES

Cl.Cl.Cl.Cl.OC[C@H](O)[C@H](CO)N1CCNCCNCCNCC1

InChI

InChIKey=FYFSGGAVTBSKBV-RDKDOERDSA-N
InChI=1S/C12H28N4O3.4ClH/c17-9-11(12(19)10-18)16-7-5-14-3-1-13-2-4-15-6-8-16;;;;/h11-15,17-19H,1-10H2;4*1H/t11-,12-;;;;/m0..../s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,2,4-Butanetriol, 3-(1,4,7,10-tetraazacyclododec-1-yl)-, hydrochloride (1:4), (2R,3S)-rel-
Preferred Name English
3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride, (2R,3S)-rel-
Systematic Name English
rel-(2R,3S)-3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol hydrochloride
Systematic Name English
1,2,4-Butanetriol, 3-(1,4,7,10-tetraazacyclododec-1-yl)-, tetrahydrochloride, (R*,S*)-
Systematic Name English
Code System Code Type Description
PUBCHEM
169490742
Created by admin on Wed Apr 02 14:12:17 GMT 2025 , Edited by admin on Wed Apr 02 14:12:17 GMT 2025
PRIMARY
FDA UNII
4XE6KD826Y
Created by admin on Wed Apr 02 14:12:17 GMT 2025 , Edited by admin on Wed Apr 02 14:12:17 GMT 2025
PRIMARY
CAS
198637-66-0
Created by admin on Wed Apr 02 14:12:17 GMT 2025 , Edited by admin on Wed Apr 02 14:12:17 GMT 2025
PRIMARY
NIH
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