AMABILINE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H25NO4
Molecular Weight	283.3633
Optical Activity	( + )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMABILINE

Structure Search

SMILES

[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@H](C)O

InChI

InChIKey=DRVWTOSBCBKXOR-WHOFXGATSA-N

InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H25NO4
Molecular Weight	283.3633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:04:50 UTC 2023` Edited by `admin` on `Fri Dec 15 19:04:50 UTC 2023`
Record UNII	HG6G8EU69E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMABILINE

Common Name

English

[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate

Systematic Name

English

Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester, (2S,3S)-

Systematic Name

English

Supinidine (2S,3S)-2,3-dihydroxy-2-isopropylbutyrate

Common Name

English

Code System Code Type Description

FDA UNII

HG6G8EU69E

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

PRIMARY

CHEBI

2617

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

PRIMARY

CAS

17958-43-9

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

PRIMARY

PUBCHEM

399199

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID60939241

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

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WIKIPEDIA

Amabiline

Created by admin on Fri Dec 15 19:04:50 UTC 2023 , Edited by admin on Fri Dec 15 19:04:50 UTC 2023

PRIMARY

Related Record Type Details


					PB618V0K2W

BORAGE

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: