CITRONELLOL ACETATE, (R)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CITRONELLOL ACETATE, (R)-

Structure Search

SMILES

C[C@@H](CCOC(C)=O)CCC=C(C)C

InChI

InChIKey=JOZKFWLRHCDGJA-LLVKDONJSA-N

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Vanilloid receptor 53 Target ID: CHEMBL4794 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20686244	Agonist 2678

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:19:45 GMT 2023` Edited by `admin` on `Fri Dec 15 19:19:45 GMT 2023`
Record UNII	9X45FJL446
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITRONELLOL ACETATE, (R)-

Systematic Name

English

6-OCTEN-1-OL, 3,7-DIMETHYL-, 1-ACETATE, (3R)-

Common Name

English

6-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE, (R)-

Systematic Name

English

6-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE, (3R)-

Systematic Name

English

(R)-(+)-CITRONELLYL ACETATE

Systematic Name

English

FEMA NO. 2311, (+)-

Code

English

6-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE, (R)-(+)-

Systematic Name

English

Code System Code Type Description

CAS

20425-54-1

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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FDA UNII

9X45FJL446

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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EPA CompTox

DTXSID501253609

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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ECHA (EC/EINECS)

243-812-2

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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PUBCHEM

6708682

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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RXCUI

1432295

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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RxNorm

DAILYMED

9X45FJL446

Created by admin on Fri Dec 15 19:19:45 GMT 2023 , Edited by admin on Fri Dec 15 19:19:45 GMT 2023

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