DES(6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN) MALEATE, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	2C16H23NO.C4H4O4
Molecular Weight	606.792
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of DES(6-(N-.ALPHA.-PIPECOLINOMETHYL)-5-HYDROXYINDAN) MALEATE, (±)-

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CC1CCCCN1CC2=CC3=C(CCC3)C=C2O.CC4CCCCN4CC5=CC6=C(CCC6)C=C5O

InChI

InChIKey=LGGYLQCPABYSGU-KSBRXOFISA-N

InChI=1S/2C16H23NO.C4H4O4/c2*1-12-5-2-3-8-17(12)11-15-9-13-6-4-7-14(13)10-16(15)18;5-3(6)1-2-4(7)8/h2*9-10,12,18H,2-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-

HIDE SMILES / InChI

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	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:12:10 GMT 2023` Edited by `admin` on `Sat Dec 16 05:12:10 GMT 2023`
Record UNII	9592L886SO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DES(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 (2:1) (SALT)

Systematic Name

English

Code System Code Type Description

PUBCHEM

121225701

Created by admin on Sat Dec 16 05:12:10 GMT 2023 , Edited by admin on Sat Dec 16 05:12:10 GMT 2023

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CAS

53305-31-0

Created by admin on Sat Dec 16 05:12:10 GMT 2023 , Edited by admin on Sat Dec 16 05:12:10 GMT 2023

NON-SPECIFIC STOICHIOMETRY

CAS

73166-59-3

Created by admin on Sat Dec 16 05:12:10 GMT 2023 , Edited by admin on Sat Dec 16 05:12:10 GMT 2023

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FDA UNII

9592L886SO

Created by admin on Sat Dec 16 05:12:10 GMT 2023 , Edited by admin on Sat Dec 16 05:12:10 GMT 2023

PRIMARY