ECGONINE (Z)-CINNAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO4
Molecular Weight	315.3636
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)\C=C/C3=CC=CC=C3)C(O)=O

InChI

InChIKey=MDTUUUPKNSURIT-HURWSVTNSA-N

InChI=1S/C18H21NO4/c1-19-13-8-9-14(19)17(18(21)22)15(11-13)23-16(20)10-7-12-5-3-2-4-6-12/h2-7,10,13-15,17H,8-9,11H2,1H3,(H,21,22)/b10-7-/t13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H21NO4
Molecular Weight	315.3636
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:06:25 GMT 2023` Edited by `admin` on `Sat Dec 16 10:06:25 GMT 2023`
Record UNII	SOG1EX9X4I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE (Z)-CINNAMATE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-METHYL-3-((1-OXO-3-PHENYL-2-PROPENYL)OXY)-, (1R-(1.ALPHA.,2.ALPHA.,3.ALPHA.(Z),5.ALPHA.))- (9CI)

Systematic Name

English

CIS-CINNAMOYLECGONINE

Common Name

English

Code System Code Type Description

FDA UNII

SOG1EX9X4I

Created by admin on Sat Dec 16 10:06:25 GMT 2023 , Edited by admin on Sat Dec 16 10:06:25 GMT 2023

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PUBCHEM

92135639

Created by admin on Sat Dec 16 10:06:25 GMT 2023 , Edited by admin on Sat Dec 16 10:06:25 GMT 2023

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CAS

74958-40-0

Created by admin on Sat Dec 16 10:06:25 GMT 2023 , Edited by admin on Sat Dec 16 10:06:25 GMT 2023

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