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Details

Stereochemistry MIXED
Molecular Formula C26H40N2O5
Molecular Weight 460.6062
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-(5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYBENZYL)-6-(HYDROXYMETHYL)PHENOL

SMILES

CC(C)(C)NCC(O)C1=CC(CC2=C(O)C(CO)=CC(=C2)C(O)CNC(C)(C)C)=C(O)C=C1

InChI

InChIKey=YGTPUUFMIIQKAR-UHFFFAOYSA-N
InChI=1S/C26H40N2O5/c1-25(2,3)27-13-22(31)16-7-8-21(30)17(9-16)10-19-11-18(12-20(15-29)24(19)33)23(32)14-28-26(4,5)6/h7-9,11-12,22-23,27-33H,10,13-15H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C26H40N2O5
Molecular Weight 460.6062
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:43:51 UTC 2023
Edited
by admin
on Sat Dec 16 07:43:51 UTC 2023
Record UNII
9236738J4P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-(5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYBENZYL)-6-(HYDROXYMETHYL)PHENOL
Systematic Name English
5-((5-(2-(TERT-BUTYLAMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)METHYL)-.ALPHA.1-((TERT-BUTYLAMINO)METHYL)-4-HYDROXY-1,3-BENZENEDIMETHANOL
Common Name English
SALBUTAMOL SULFATE IMPURITY N [EP IMPURITY]
Common Name English
1,3-BENZENEDIMETHANOL, 5-((5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)METHYL)-.ALPHA.1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-4-HYDROXY-
Common Name English
2-((1,1-DIMETHYLETHYL)AMINO)-1-(3-((5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)METHYL)-4-HYDROXY-5-(HYDROXYMETHYL)PHENYL)ETHANOL
Systematic Name English
Code System Code Type Description
PUBCHEM
12043589
Created by admin on Sat Dec 16 07:43:51 UTC 2023 , Edited by admin on Sat Dec 16 07:43:51 UTC 2023
PRIMARY
CAS
149222-15-1
Created by admin on Sat Dec 16 07:43:51 UTC 2023 , Edited by admin on Sat Dec 16 07:43:51 UTC 2023
PRIMARY
FDA UNII
9236738J4P
Created by admin on Sat Dec 16 07:43:51 UTC 2023 , Edited by admin on Sat Dec 16 07:43:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP