DHEA 7-O-(carboxymethyl)oxime
Basic information
- CAS
40573-87-3- Standard SMILES
C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
ZVQQBKJJJZODIH-FXHJKIPBSA-N- Molecular formula
- C21H29NO5
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.20457303
Overview
Dehydroepiandrosterone 7-O-(carboxymethyl)oxime is the 7-oxime of dehydroepiandrosterone, substituted on the oxime oxygen by a carboxymethyl group. It has a role as an immunological adjuvant. It is a 3beta-hydroxy-Delta(5)-steroid and a ketoxime. It is functionally related to a dehydroepiandrosterone.
Names & identifiers
- Preferred name
- DHEA 7-O-(carboxymethyl)oxime
- IUPAC
- 2-[(E)-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-17-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-ylidene]amino]oxyacetic acid
- English name
- 3β-Hydroxy-17-oxo-5-androsten-7-one 7-(O-carboxymethyl)oxime
- Molecular formula
- C21H29NO5
- Molecular weight
- 375.46
Names & synonyms
DHEA-7-CMODHEA 7-O-(carboxymethyl)oximedehydroepiandrosterone-7-carboxymethyloximedehydroepiandrosterone 7-O-(carboxymethyl)oxime40573-87-3({[(3beta)-3-hydroxy-17-oxoandrost-5-en-7-ylidene]amino}oxy)acetic acid3?-Hydroxy-17-oxo-5-androsten-7-one 7-(O-carboxymethyl)oximeCHEBI:629353beta-Hydroxy-17-oxo-5-androsten-7-one 7-(O-carboxymethyl)oxime3β-Hydroxy-17-oxo-5-androsten-7-one 7-(O-carboxymethyl)oximeAcetic acid, [[[(3β)-3-hydroxy-17-oxoandrost-5-en-7-ylidene]amino]oxy]-
Database identifiers
- CAS
40573-87-3- PubChem CID
- 53477586
- ChEBI
CHEBI:62935- EC Number
- 881-280-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 728
Physicochemical properties
- Boiling point
- 568.9 · 568.9±60.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Dioxane (Slightly), Methanol (Slightly)
- pka
- 3.12 · 3.12±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
Uses3β-Hydroxy-17-oxo-5-androsten-7-one 7-(O-carboxymethyl)oxime is used in the preparation of steroid-antigens. A steroid.
Upstream & downstream products
Upstream raw materials
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