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Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO.C4H4O4
Molecular Weight 361.4321
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN MALEATE, (±)-

SMILES

OC(=O)\C=C/C(O)=O.CC1CCCCN1CC2=CC3=C(CCC3)C=C2O

InChI

InChIKey=GVXPAWFMZOZNLY-BTJKTKAUSA-N
InChI=1S/C16H23NO.C4H4O4/c1-12-5-2-3-8-17(12)11-15-9-13-6-4-7-14(13)10-16(15)18;5-3(6)1-2-4(7)8/h9-10,12,18H,2-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C16H23NO
Molecular Weight 245.3599
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:05:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:05:39 GMT 2023
Record UNII
MUU1P6804I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN MALEATE, (±)-
Common Name English
1H-INDEN-5-OL, 2,3-DIHYDRO-6-((2-METHYL-1-PIPERIDINYL)METHYL)-, (2Z)-2-BUTENEDIOATE (1:1) (SALT)
Systematic Name English
5-INDANOL, 6-((2-METHYLPIPERIDINO)METHYL)-, MALEATE,(±)-
Common Name English
Code System Code Type Description
FDA UNII
MUU1P6804I
Created by admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
PRIMARY
CAS
52849-32-8
Created by admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
PRIMARY
CAS
53305-31-0
Created by admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
6439739
Created by admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
PRIMARY