ECGONINE, (±)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ECGONINE, (±)-

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O

InChI

InChIKey=PHMBVCPLDPDESM-FKSUSPILSA-N

InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C9H15NO3
Molecular Weight	185.2203
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:59 UTC 2023` Edited by `admin` on `Sat Dec 16 09:09:59 UTC 2023`
Record UNII	342I22959I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE, (±)-

Common Name

English

DL-ECGONINE

Common Name

English

(±)-ECGONINE

Common Name

English

ECGONINE (±)-FORM [MI]

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, MONOHYDRATE, (EXO,EXO)-

Systematic Name

English

Code System Code Type Description

CAS

876657-17-9

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

MERCK INDEX

m4810

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

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Merck Index

EPA CompTox

DTXSID20881252

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

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FDA UNII

342I22959I

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

PRIMARY

CAS

54808-87-6

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

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PUBCHEM

91460

Created by admin on Sat Dec 16 09:09:59 UTC 2023 , Edited by admin on Sat Dec 16 09:09:59 UTC 2023

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