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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30N2O5
Molecular Weight 378.4626
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl [(1R,2R)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]carbamate

SMILES

CC(C)(C)OC(=O)N[C@H](CN1CCCC1)[C@H](O)C2=CC=C3OCCOC3=C2

InChI

InChIKey=XEYCUEFCHCMSSB-CRAIPNDOSA-N
InChI=1S/C20H30N2O5/c1-20(2,3)27-19(24)21-15(13-22-8-4-5-9-22)18(23)14-6-7-16-17(12-14)26-11-10-25-16/h6-7,12,15,18,23H,4-5,8-11,13H2,1-3H3,(H,21,24)/t15-,18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
tert-Butyl [(1R,2R)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]carbamate
Systematic Name English
Carbamic acid, N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-, 1,1-dimethylethyl ester
Systematic Name English
1,1-Dimethylethyl N-[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]carbamate
Systematic Name English
Code System Code Type Description
PUBCHEM
68192173
Created by admin on Sat Dec 16 19:46:07 GMT 2023 , Edited by admin on Sat Dec 16 19:46:07 GMT 2023
PRIMARY
CAS
502483-57-0
Created by admin on Sat Dec 16 19:46:07 GMT 2023 , Edited by admin on Sat Dec 16 19:46:07 GMT 2023
PRIMARY
FDA UNII
7CCA3F9PAV
Created by admin on Sat Dec 16 19:46:07 GMT 2023 , Edited by admin on Sat Dec 16 19:46:07 GMT 2023
PRIMARY