1-DEHYDROPROGESTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O2
Molecular Weight	312.4458
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=QIEPWCSVQYUPIY-LEKSSAKUSA-N

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O2
Molecular Weight	312.4458
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Cooperative inhibition of human thymidylate synthase by mixtures of active site binding and allosteric inhibitors.	2007 Mar 13	17297914

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:49:20 GMT 2023` Edited by `admin` on `Sat Dec 16 05:49:20 GMT 2023`
Record UNII	257V0W056G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-DEHYDROPROGESTERONE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE

Systematic Name

English

1,2-DEHYDROPROGESTERONE

Common Name

English

.DELTA.1-PROGESTERONE

Common Name

English

NSC-63538

Code

English

PROGESTERONE IMPURITY J [EP IMPURITY]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50921958