U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Unknown
139594
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
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966