1-METHYLESTRONE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24O2
Molecular Weight	284.3927
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-METHYLESTRONE

Structure Search

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4C

InChI

InChIKey=AIBFRTWVQFOKIS-DRMAHVMPSA-N

InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3/t14-,15+,16+,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H24O2
Molecular Weight	284.3927
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:14:01 GMT 2023` Edited by `admin` on `Sat Dec 16 08:14:01 GMT 2023`
Record UNII	40063FA5LS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-METHYLESTRONE

Common Name

English

ESTRONE, 1-METHYL-

Common Name

English

NSC-67582

Code

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-1-METHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

40063FA5LS

Created by admin on Sat Dec 16 08:14:01 GMT 2023 , Edited by admin on Sat Dec 16 08:14:01 GMT 2023

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EPA CompTox

DTXSID40960558

Created by admin on Sat Dec 16 08:14:01 GMT 2023 , Edited by admin on Sat Dec 16 08:14:01 GMT 2023

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CAS

4011-48-7

Created by admin on Sat Dec 16 08:14:01 GMT 2023 , Edited by admin on Sat Dec 16 08:14:01 GMT 2023

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NSC

67582

Created by admin on Sat Dec 16 08:14:01 GMT 2023 , Edited by admin on Sat Dec 16 08:14:01 GMT 2023

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PUBCHEM

11954157

Created by admin on Sat Dec 16 08:14:01 GMT 2023 , Edited by admin on Sat Dec 16 08:14:01 GMT 2023

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