ELGODIPINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H33FN2O6
Molecular Weight	524.5805
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELGODIPINE

Structure Search

SMILES

CC(C)OC(=O)C1=C(C)NC(C)=C(C1C2=C3OCOC3=CC=C2)C(=O)OCCN(C)CC4=CC=C(F)C=C4

InChI

InChIKey=ZGRIPYHIFXGCHR-UHFFFAOYSA-N

InChI=1S/C29H33FN2O6/c1-17(2)38-29(34)25-19(4)31-18(3)24(26(25)22-7-6-8-23-27(22)37-16-36-23)28(33)35-14-13-32(5)15-20-9-11-21(30)12-10-20/h6-12,17,26,31H,13-16H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C29H33FN2O6
Molecular Weight	524.5805
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 `Fri Dec 15 16:22:09 UTC 2023` Edited by `admin` on `Fri Dec 15 16:22:09 UTC 2023`
Record UNII	3JI11Z5REF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELGODIPINE

Official Name

English

ELGODIPINE [MI]

Common Name

English

elgodipine [INN]

Common Name

English

2-((P-FLUOROBENZYL)METHYLAMINO)ETHYL ISOPROPYL (±)-1,4-DIHYDRO-2,6-DIMETHYL-4-(2,3-(METHYLENEDIOXY)PHENYL)-3,5-PYRIDINEDICARBOXYLATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C333

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

Code System Code Type Description

FDA UNII

3JI11Z5REF

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

EPA CompTox

DTXSID20922957

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

INN

6451

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

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ChEMBL

CHEMBL2218890

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

SMS_ID

100000080745

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

MERCK INDEX

m1130

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

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Merck Index

NCI_THESAURUS

C76579

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

MESH

C063839

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

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PUBCHEM

60701

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

EVMPD

SUB06484MIG

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

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CAS

119413-55-7

Created by admin on Fri Dec 15 16:22:09 UTC 2023 , Edited by admin on Fri Dec 15 16:22:09 UTC 2023

PRIMARY

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					3JI11Z5REF

ACTIVE MOIETY