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Details

Stereochemistry RACEMIC
Molecular Formula C15H32N4O3
Molecular Weight 316.4396
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-

SMILES

[H][C@]1(COC(C)(C)OC[C@H]1O)N2CCNCCNCCNCC2

InChI

InChIKey=FRELRIWZBXADCT-ZIAGYGMSSA-N
InChI=1S/C15H32N4O3/c1-15(2)21-11-13(14(20)12-22-15)19-9-7-17-5-3-16-4-6-18-8-10-19/h13-14,16-18,20H,3-12H2,1-2H3/t13-,14-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-
Systematic Name English
rel-(5R,6S)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol
Systematic Name English
1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, (5R,6S)-rel-
Systematic Name English
1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, trans-
Systematic Name English
(5r,6s)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol
Systematic Name English
Code System Code Type Description
PUBCHEM
68345841
Created by admin on Sat Dec 16 19:30:13 GMT 2023 , Edited by admin on Sat Dec 16 19:30:13 GMT 2023
PRIMARY
CAS
198637-63-7
Created by admin on Sat Dec 16 19:30:13 GMT 2023 , Edited by admin on Sat Dec 16 19:30:13 GMT 2023
PRIMARY
CAS
138147-50-9
Created by admin on Sat Dec 16 19:30:13 GMT 2023 , Edited by admin on Sat Dec 16 19:30:13 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
9LB4M663MW
Created by admin on Sat Dec 16 19:30:13 GMT 2023 , Edited by admin on Sat Dec 16 19:30:13 GMT 2023
PRIMARY