Dihydro α-Ergocryptine

Modify Date: 2025-08-26 16:55:00

Dihydro α-Ergocryptine Structure
Dihydro α-Ergocryptine structure
Common Name Dihydro α-Ergocryptine
CAS Number 25447-66-9 Molecular Weight 577.71400
Density 1.36g/cm3 Boiling Point 848.7ºC at 760 mmHg
Molecular Formula C32H43N5O5 Melting Point N/A
MSDS N/A Flash Point 467.1ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name dihydro-α-ergocryptine
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.36g/cm3
Boiling Point 848.7ºC at 760 mmHg
Molecular Formula C32H43N5O5
Molecular Weight 577.71400
Flash Point 467.1ºC
Exact Mass 577.32600
PSA 121.70000
LogP 3.17460
Vapour Pressure 1.26E-30mmHg at 25°C
Index of Refraction 1.667
InChIKey PBUNVLRHZGSROC-VTIMJTGVSA-N
SMILES CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  1

DownStream  3

 Dihydro α-ErgocryptineBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Binding affinity towards human GABRA1 in an in vitro assay with cellular components m...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit gamma-2
External Id: CHEMBL5291799
Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535
Name: Binding affinity towards human ESR1 in an in vitro cell free assay (CRO assay) measur...
Source: ChEMBL
Target: Estrogen receptor
External Id: CHEMBL5291792
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Compound was evaluated for inhibition of human F2 in an in vitro cell free assay meas...
Source: ChEMBL
Target: Prothrombin
External Id: CHEMBL5291794
Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
Name: qHTS assay for small molecules that induce genotoxicity in human embryonic kidney cel...
Source: 824
Target: RecName: Full=ATPase family AAA domain-containing protein 5; AltName: Full=Chromosome fragility-associated gene 1 protein
External Id: ELG271
Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Dihydroergokryptine
Dihydroergocryptine
EINECS 246-993-6
Dihydroergocriptine
dihydro-alpha-ergocryptine

 Dihydro α-Ergocryptine | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of dihydro-α-ergocryptine?
A: SMILES notation of dihydro-α-ergocryptine is CC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12.
Q: What is the molecular weight of dihydro-α-ergocryptine?
A: Molecular weight of dihydro-α-ergocryptine is 577.71400.
Q: What is the CAS number of dihydro-α-ergocryptine?
A: CAS number of dihydro-α-ergocryptine is 25447-66-9.
Q: What English synonyms does dihydro-α-ergocryptine have?
A: English synonyms of dihydro-α-ergocryptine: Dihydroergokryptine, Dihydroergocryptine, EINECS 246-993-6, Dihydroergocriptine, dihydro-alpha-ergocryptine.
Q: What is the LogP of dihydro-α-ergocryptine?
A: LogP of dihydro-α-ergocryptine is 3.17460.
Q: What are the downstream products of dihydro-α-ergocryptine?
A: Related downstream products(CAS) of dihydro-α-ergocryptine: 5878-43-3;72821-79-5;81409-74-7.
Q: What is the polar surface area (PSA) of dihydro-α-ergocryptine?
A: Polar surface area (PSA) of dihydro-α-ergocryptine is 121.70000.
Q: What is the English name of dihydro-α-ergocryptine?
A: The English name of dihydro-α-ergocryptine is dihydro-α-ergocryptine.
Q: What is the boiling point of dihydro-α-ergocryptine?
A: Boiling point of dihydro-α-ergocryptine is 848.7ºC at 760 mmHg.
Q: What is the Chinese name of 25447-66-9?
A: Chinese name of 25447-66-9 is 25447-66-9.

 Dihydro α-Ergocryptinefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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