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Details

Stereochemistry	RACEMIC
Molecular Formula	C24H31N3O6
Molecular Weight	457.5194
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=C(C)NC(C)=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)OCCN3CCCCC3

InChI

InChIKey=LBSRZVRITCRLIU-UHFFFAOYSA-N

InChI=1S/C24H31N3O6/c1-4-32-23(28)20-16(2)25-17(3)21(22(20)18-9-8-10-19(15-18)27(30)31)24(29)33-14-13-26-11-6-5-7-12-26/h8-10,15,22,25H,4-7,11-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C24H31N3O6
Molecular Weight	457.5194
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 11:45:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:45:01 GMT 2023`
Record UNII	D01DZ0CP90
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPERDIPINE FREE BASE

Common Name

English

YS-201

Code

English

3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-ETHYL 5-(2-(1-PIPERIDINYL)ETHYL) ESTER

Systematic Name

English

3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, ETHYL 2-(1-PIPERIDINYL)ETHYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90910886

Created by admin on Sat Dec 16 11:45:01 GMT 2023 , Edited by admin on Sat Dec 16 11:45:01 GMT 2023

PRIMARY

CAS

108852-42-2

Created by admin on Sat Dec 16 11:45:01 GMT 2023 , Edited by admin on Sat Dec 16 11:45:01 GMT 2023

PRIMARY

FDA UNII

D01DZ0CP90

Created by admin on Sat Dec 16 11:45:01 GMT 2023 , Edited by admin on Sat Dec 16 11:45:01 GMT 2023

PRIMARY

PUBCHEM

130588

Created by admin on Sat Dec 16 11:45:01 GMT 2023 , Edited by admin on Sat Dec 16 11:45:01 GMT 2023

PRIMARY

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