ECGONINE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H15NO3.H2O
Molecular Weight	203.2356
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=UGPQWACOCBWXEC-PXXJPSRFSA-N

InChI=1S/C9H15NO3.H2O/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H2/t5-,6+,7-,8+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 `Fri Dec 15 15:47:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:47:27 UTC 2023`
Record UNII	ET3PMG0528
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE MONOHYDRATE

Common Name

English

ECGONINE MONOHYDRATE [MI]

Common Name

English

(1R,2R,3S,5S)-3-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID MONOHYDRATE

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, MONOHYDRATE, (1R-(EXO,EXO))-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m4810

Created by admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023

PRIMARY

Merck Index

PUBCHEM

70269372

Created by admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023

PRIMARY

FDA UNII

ET3PMG0528

Created by admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023

PRIMARY

CAS

5796-30-5

Created by admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023

PRIMARY

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