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Details

Stereochemistry RACEMIC
Molecular Formula C12H28N4O3
Molecular Weight 276.3757
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, (2R,3S)-rel-

SMILES

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

InChI

InChIKey=NXHUAYWRBFCZOA-RYUDHWBXSA-N
InChI=1S/C12H28N4O3/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/t11-,12-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol, (2R,3S)-rel-
Systematic Name English
1,2,4-Butanetriol, 3-(1,4,7,10-tetraazacyclododec-1-yl)-, (2R,3S)-rel-
Systematic Name English
rel-(2R,3S)-3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol
Systematic Name English
1,2,4-Butanetriol, 3-(1,4,7,10-tetraazacyclododec-1-yl)-, (R*,S*)-
Systematic Name English
Code System Code Type Description
PUBCHEM
155904445
Created by admin on Sat Dec 16 19:21:40 GMT 2023 , Edited by admin on Sat Dec 16 19:21:40 GMT 2023
PRIMARY
CAS
754167-78-7
Created by admin on Sat Dec 16 19:21:40 GMT 2023 , Edited by admin on Sat Dec 16 19:21:40 GMT 2023
PRIMARY
FDA UNII
ZB52S6VKA4
Created by admin on Sat Dec 16 19:21:40 GMT 2023 , Edited by admin on Sat Dec 16 19:21:40 GMT 2023
PRIMARY
NIH
NCATS
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