17-(Methylamino)estra-1,3,5(10)-triene-2,3,16-triol, (16?,17?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27NO3
Molecular Weight	317.4226
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17-(Methylamino)estra-1,3,5(10)-triene-2,3,16-triol, (16?,17?)-

Structure Search

SMILES

CN[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=C(C=C(O)C(O)=C4)[C@H]3CC[C@]12C

InChI

InChIKey=YVBSZXJRJYYVQR-AFKMTKAPSA-N

InChI=1S/C19H27NO3/c1-19-6-5-11-12(14(19)9-17(23)18(19)20-2)4-3-10-7-15(21)16(22)8-13(10)11/h7-8,11-12,14,17-18,20-23H,3-6,9H2,1-2H3/t11-,12+,14-,17+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27NO3
Molecular Weight	317.4226
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:02:51 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:51 GMT 2025`
Record UNII	NMV6W2F34U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Org-20781

Preferred Name

English

17-(Methylamino)estra-1,3,5(10)-triene-2,3,16-triol, (16?,17?)-

Systematic Name

English

Estra-1,3,5(10)-triene-2,3,16-triol, 17-(methylamino)-, (16?,17?)-

Systematic Name

English

(8S,9R,13R,14S,16S,17R)-13-METHYL-17-(METHYLAMINO)-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHRENE-2,3,16-TRIOL

Systematic Name

English

(16?,17?)-17-(Methylamino)estra-1,3,5(10)-triene-2,3,16-triol

Systematic Name

English

Org20781

Code

English

Code System Code Type Description

CAS

169107-07-7

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

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FDA UNII

NMV6W2F34U

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

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PUBCHEM

9861772

Created by admin on Wed Apr 02 08:02:51 GMT 2025 , Edited by admin on Wed Apr 02 08:02:51 GMT 2025

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