ESTETROL MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24O4.H2O
Molecular Weight	322.396
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=XRJNAPXFAXBPAM-BVTDNVAGSA-N

InChI=1S/C18H24O4.H2O/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22;/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3;1H2/t12-,13-,14-,15-,16-,17+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H24O4
Molecular Weight	304.3808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:09:42 UTC 2023` Edited by `admin` on `Sat Dec 16 15:09:42 UTC 2023`
Record UNII	KC3GI9UM9V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTETROL MONOHYDRATE

Official Name

English

E4 monohydrate

Common Name

English

Estetrol monohydrate [WHO-DD]

Common Name

English

ESTETROL [ORANGE BOOK]

Common Name

English

NEXTSTELLIS COMPONENT ESTETROL

Brand Name

English

ESTETROL COMPONENT OF NEXTSTELLIS

Brand Name

English

ESTETROL (HYDROUS) [USAN]

Common Name

English

ESTETROL HYDRATE

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,15,16,17-TETROL, HYDRATE (1:1), (15.ALPHA.,16.ALPHA.,17.BETA.)-

Systematic Name

English

ESTRA-1,3,5(10)-TRIENE-3,15.ALPHA.,16.ALPHA.,17.BETA.-TETROL MONOHYDRATE

Systematic Name

English

ESTETROL HYDRATE [JAN]

Common Name

English

Code System Code Type Description

SMS_ID

300000014640