STEVALADIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H45NO4
Molecular Weight	447.6505
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O)N(C)C)[C@H](C)OC(C)=O

InChI

InChIKey=AYSBIMSATXNCSF-VFEFFJNBSA-N

InChI=1S/C27H45NO4/c1-17(32-19(3)30)23-9-10-25-22-8-7-20-15-21(28(5)6)11-13-26(20,4)24(22)12-14-27(23,25)16-31-18(2)29/h17,20-25H,7-16H2,1-6H3/t17-,20-,21-,22+,23+,24-,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H45NO4
Molecular Weight	447.6505
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15781398 | Chimica Therapeutica (1970), 5, (2), 129-37.

Stevaladil is a pregnanediol derivative patented by Shionogi & Co., Ltd. as antiparasitic agent

Originator

Approval Year

PubMed

Title	Date	PubMed
Atom, atom-type, and total nonstochastic and stochastic quadratic fingerprints: a promising approach for modeling of antibacterial activity.	2005 Apr 15	15781398

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:57:58 GMT 2023` Edited by `admin` on `Fri Dec 15 16:57:58 GMT 2023`
Record UNII	FW24343731
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

STEVALADIL

Official Name

English

stevaladil [INN]

Common Name

English

3.BETA.-(DIMETHYLAMINO)-5.ALPHA.-PREGNANE-18,20.ALPHA.-DIOL DIACETATE (ESTER)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707