Biotin-2′,2′,3′,3′-d₄ - ≥98 atom% D,≥95% , CAS No.1217850-77-5

CAS: 1217850-77-5 Cat. No.: B464606 Formula: C₁₀H₁₂D₄N₂O₃S Molecular Weight: 248.34

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

5-[(3aRS,4RS,6aSR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2,3,3-tetradeuteriopentanoic acid | rel-(3aR,4R,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic-2,2,3,3-d4 acid | Vitamin B₇ (biotin) (3′,3′,4′,4′-D₄） | rel-Vitamin B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Biotin is a water-soluble vitamin B which is also known as vitamin B7. It is involved in the synthesis of fatty acids and gluconeogenesis. Biotin is found in plants and animals. Its deficiency causes retardation in growth, alopecia and neurological impairment in humans and animals.Biotin-2′,2′,3′,3′-d4is an isotope of vitamin B7 wherein C-2′, C-2′, C-3′, C-3′ protons are replaced by deuterium.Biotin-2′,2′,3′,3′-d4can be used as a stable isotope internal standard for accurate data interpretation in specific biological samples.

Specifications

Synonyms

5-[(3aRS,4RS,6aSR)-2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2,2,3,3-tetradeuteriopentanoic acid | rel-(3aR,4R,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic-2,2,3,3-d4 acid | Vitamin B₇ (biotin) (3′,3′,4′,4′-D₄） | rel-Vitamin B

Specifications & Purity

≥98 atom% D,≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D,≥95%

Names and Identifiers

Canonical Smiles

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2

IUPAC Name

5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

InChIKey

YBJHBAHKTGYVGT-CRMOQAEOSA-N

INCHI

1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/m0/s1

Isomeric SMILES

C1C2C([C@@H](S1)CCCCC(=O)O)NC(=O)N2

Alternate CAS

58-85-5（unlabelled）

Molecular Weight

248.34

Reaxy-Rn

212836

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=212836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Medium-chain fatty acids Thienoimidazolidines Heterocyclic fatty acids Thia fatty acids Imidazolidinones Thiophenes Thiolanes Ureas Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Biotin - Thienoimidazolidine - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Fatty acid - Fatty acyl - Imidazolidinone - Imidazolidine - Thiophene - Thiolane - Urea - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO, Methanol (Sparingly)
• Melt Point(°C): 226-229°C