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

Details

Stereochemistry UNKNOWN
Molecular Formula C11H17NO3.ClH
Molecular Weight 247.719
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOXETHEDRIN HYDROCHLORIDE

SMILES

Cl.CCNC(C)C(O)C1=CC(O)=C(O)C=C1

InChI

InChIKey=FUJODHUUJJFEIR-UHFFFAOYSA-N
InChI=1S/C11H17NO3.ClH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H17NO3
Molecular Weight 211.2576
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:30:51 GMT 2023
Edited
by admin
on Sat Dec 16 00:30:51 GMT 2023
Record UNII
6QT0288IQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIOXETHEDRIN HYDROCHLORIDE
WHO-DD  
Common Name English
DIOXETHEDRINE HYDROCHLORIDE [MI]
Common Name English
DIOXETHEDRINE HYDROCHLORIDE
MI  
Common Name English
BENZYL ALCOHOL, .ALPHA.-(1-(ETHYLAMINO)ETHYL)-3,4-DIHYDROXY-, HYDROCHLORIDE
Systematic Name English
Dioxethedrin hydrochloride [WHO-DD]
Common Name English
1,2-BENZENEDIOL, 4-(2-(ETHYLAMINO)-1-HYDROXYPROPYL)-, HYDROCHLORIDE
Systematic Name English
1,2-BENZENEDIOL, 4-(2-(ETHYLAMINO)-1-HYDROXYPROPYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
.ALPHA.-(1-ETHYLAMINOETHYL)PROTOCATECHUYL ALCOHOL HYDROCHLORIDE
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL2110629
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY
CAS
22930-85-4
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID90945613
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY
FDA UNII
6QT0288IQF
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
245-335-5
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY
MERCK INDEX
m4601
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY Merck Index
PUBCHEM
3015141
Created by admin on Sat Dec 16 00:30:51 GMT 2023 , Edited by admin on Sat Dec 16 00:30:51 GMT 2023
PRIMARY