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

Details

Stereochemistry RACEMIC
Molecular Formula C27H41NO6.ClH
Molecular Weight 512.078
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL) HYDROCHLORIDE

SMILES

Cl.COCCC1=CC=C(OCC(O)CN(CC(O)COC2=CC=C(CCOC)C=C2)C(C)C)C=C1

InChI

InChIKey=DLLKKRCTYCMVLB-UHFFFAOYSA-N
InChI=1S/C27H41NO6.ClH/c1-21(2)28(17-24(29)19-33-26-9-5-22(6-10-26)13-15-31-3)18-25(30)20-34-27-11-7-23(8-12-27)14-16-32-4;/h5-12,21,24-25,29-30H,13-20H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C27H41NO6
Molecular Weight 475.6175
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:59 GMT 2023
Record UNII
SCP5NV8XQB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL) HYDROCHLORIDE
Systematic Name English
1-((2-HYDROXY-3-(4-(2-METHOXYETHYL)PHENOXY)PROPYL)-PROPAN-2-YLAMINO)-3-(4-(2-METHOXYETHYL)PHENOXY)PROPAN-2-OL HYDROCHLORIDE
Systematic Name English
2-PROPANOL, 1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
SCP5NV8XQB
Created by admin on Sat Dec 16 10:32:59 GMT 2023 , Edited by admin on Sat Dec 16 10:32:59 GMT 2023
PRIMARY
PUBCHEM
117064500
Created by admin on Sat Dec 16 10:32:59 GMT 2023 , Edited by admin on Sat Dec 16 10:32:59 GMT 2023
PRIMARY
CAS
1486464-40-7
Created by admin on Sat Dec 16 10:32:59 GMT 2023 , Edited by admin on Sat Dec 16 10:32:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE