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Details

Stereochemistry ACHIRAL
Molecular Formula C17H27NO4.C4H4O4
Molecular Weight 425.4727
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of L-653328 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CC(=O)OCCC1=CC=C(OC[C@@H](O)CNC(C)(C)C)C=C1

InChI

InChIKey=KNMWMHZFISZSPM-DASCVMRKSA-N
InChI=1S/C17H27NO4.C4H4O4/c1-13(19)21-10-9-14-5-7-16(8-6-14)22-12-15(20)11-18-17(2,3)4;5-3(6)1-2-4(7)8/h5-8,15,18,20H,9-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C17H27NO4
Molecular Weight 309.4006
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 09:13:24 UTC 2019
Edited
by admin
on Tue Oct 22 09:13:24 UTC 2019
Record UNII
EU9WJI0AUI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-653328 MALEATE
Code English
BENZENEETHANOL, 4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, .ALPHA.-ACETATE, (S)-, (2Z)-2-BUTENEDIOATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
70351271
Created by admin on Tue Oct 22 09:13:24 UTC 2019 , Edited by admin on Tue Oct 22 09:13:24 UTC 2019
PRIMARY
CAS
124208-19-1
Created by admin on Tue Oct 22 09:13:24 UTC 2019 , Edited by admin on Tue Oct 22 09:13:24 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY