3-ISOPROPYLMALIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H12O5
Molecular Weight	176.1672
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H]([C@H](O)C(O)=O)C(O)=O

InChI

InChIKey=RNQHMTFBUSSBJQ-WHFBIAKZSA-N

InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C7H12O5
Molecular Weight	176.1672
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:35:27 GMT 2023` Edited by `admin` on `Sat Dec 16 11:35:27 GMT 2023`
Record UNII	29405QVM5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ISOPROPYLMALIC ACID

Systematic Name

English

BETA-ISOPROPYLMALATE

Common Name

English

BUTANEDIOIC ACID, 2-HYDROXY-3-(1-METHYLETHYL)-, (2S,3S)-

Systematic Name

English

(2S,3S)-2-HYDROXY-3-(PROPAN-2-YL)BUTANEDIOIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60238862

Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023

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CAS

921-28-8

Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023

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CAS

16048-89-8

Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

29405QVM5W

Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023

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PUBCHEM

5488912

Created by admin on Sat Dec 16 11:35:28 GMT 2023 , Edited by admin on Sat Dec 16 11:35:28 GMT 2023

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DRUG BANK

DB04279

Created by admin on Sat Dec 16 11:35:27 GMT 2023 , Edited by admin on Sat Dec 16 11:35:27 GMT 2023

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