2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-

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-

Structure Search

SMILES

CC1(C)OC[C@@H](O)[C@@H](CO1)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

Molecular Formula	C15H32N4O3
Molecular Weight	316.4396
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:14:03 GMT 2025` Edited by `admin` on `Wed Apr 02 16:14:03 GMT 2025`
Record UNII	9LB4M663MW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-

Systematic Name

English

(5r,6s)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol

Preferred 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

Code System Code Type Description

PUBCHEM

68345841

Created by admin on Wed Apr 02 16:14:03 GMT 2025 , Edited by admin on Wed Apr 02 16:14:03 GMT 2025

PRIMARY

CAS

198637-63-7

Created by admin on Wed Apr 02 16:14:03 GMT 2025 , Edited by admin on Wed Apr 02 16:14:03 GMT 2025

PRIMARY

CAS

138147-50-9

Created by admin on Wed Apr 02 16:14:03 GMT 2025 , Edited by admin on Wed Apr 02 16:14:03 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

9LB4M663MW

Created by admin on Wed Apr 02 16:14:03 GMT 2025 , Edited by admin on Wed Apr 02 16:14:03 GMT 2025

PRIMARY