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Chemistry

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Also known as: 1619-16-5, (e)-3-[(1r,4s,7r,7ar)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylprop-2-enoic acid, 043w90dl5f, Hydroxyvalerenic acid (constituent of valerian) [dsc], Unii-043w90dl5f, Hydroxyvalerensaure
Molecular Formula
C15H22O3
Molecular Weight
250.33  g/mol
InChI Key
XJNQXTISSHEQKD-UNXUOHHUSA-N
FDA UNII
043W90DL5F

Hydroxyvalerenic Acid
(2E)-3-[(1R,4S,7R,7aR)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid is a natural product found in Valeriana officinalis with data available.
1 2D Structure

Hydroxyvalerenic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-3-[(1R,4S,7R,7aR)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
2.1.2 InChI
InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
2.1.3 InChI Key
XJNQXTISSHEQKD-UNXUOHHUSA-N
2.1.4 Canonical SMILES
CC1CCC(C2=C(CC(C12)O)C)C=C(C)C(=O)O
2.1.5 Isomeric SMILES
C[C@@H]1CC[C@H](C2=C(C[C@H]([C@H]12)O)C)/C=C(\C)/C(=O)O
2.2 Other Identifiers
2.2.1 UNII
043W90DL5F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1619-16-5

2. (e)-3-[(1r,4s,7r,7ar)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylprop-2-enoic Acid

3. 043w90dl5f

4. Hydroxyvalerenic Acid (constituent Of Valerian) [dsc]

5. Unii-043w90dl5f

6. Hydroxyvalerensaure

7. Hydroxyvalerens?ure

8. Dsstox_cid_13564

9. Dsstox_rid_79085

10. Dsstox_gsid_33564

11. Schembl4543164

12. Chembl1565922

13. Dtxsid8033564

14. Hy-n7262

15. Tox21_200020

16. Mfcd00189426

17. Zinc17263716

18. Ncgc00091907-01

19. Ncgc00091907-02

20. Ncgc00091907-03

21. Ncgc00257574-01

22. (2e)-3-[(1r,4s,7r,7ar)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylacrylic Acid

23. Cas-1619-16-5

24. Cs-0110986

25. 2-propenoic Acid, 3-[(1r,4s,7r,7ar)-2,4,5,6,7,7a-hexahydro-1-hydroxy-3,7-dimethyl-1h-inden-4-yl]-2-methyl-, (2e)-

26. Ncgc00091907-03_c15h22o3_(2e)-3-[(1r,4s,7r,7ar)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylacrylic Acid

2.4 Create Date
2006-05-04
3 Chemical and Physical Properties
Molecular Weight 250.33 g/mol
Molecular Formula C15H22O3
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass250.15689456 g/mol
Monoisotopic Mass250.15689456 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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ABOUT THIS PAGE

Hydroxyvalerenic Acid Manufacturers

A Hydroxyvalerenic Acid manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Hydroxyvalerenic Acid, including repackagers and relabelers. The FDA regulates Hydroxyvalerenic Acid manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Hydroxyvalerenic Acid API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Hydroxyvalerenic Acid Suppliers

A Hydroxyvalerenic Acid supplier is an individual or a company that provides Hydroxyvalerenic Acid active pharmaceutical ingredient (API) or Hydroxyvalerenic Acid finished formulations upon request. The Hydroxyvalerenic Acid suppliers may include Hydroxyvalerenic Acid API manufacturers, exporters, distributors and traders.

Hydroxyvalerenic Acid GMP

Hydroxyvalerenic Acid Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Hydroxyvalerenic Acid GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Hydroxyvalerenic Acid GMP manufacturer or Hydroxyvalerenic Acid GMP API supplier for your needs.

Hydroxyvalerenic Acid CoA

A Hydroxyvalerenic Acid CoA (Certificate of Analysis) is a formal document that attests to Hydroxyvalerenic Acid's compliance with Hydroxyvalerenic Acid specifications and serves as a tool for batch-level quality control.

Hydroxyvalerenic Acid CoA mostly includes findings from lab analyses of a specific batch. For each Hydroxyvalerenic Acid CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Hydroxyvalerenic Acid may be tested according to a variety of international standards, such as European Pharmacopoeia (Hydroxyvalerenic Acid EP), Hydroxyvalerenic Acid JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Hydroxyvalerenic Acid USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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