3-METHOXYTRAXOPRODIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO4
Molecular Weight	357.4434
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=CC(=C1)[C@H](O)[C@H](C)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=CAGLIAGCBUSTQI-MGPUTAFESA-N

InChI=1S/C21H27NO4/c1-15(20(24)16-8-9-18(23)19(14-16)26-2)22-12-10-21(25,11-13-22)17-6-4-3-5-7-17/h3-9,14-15,20,23-25H,10-13H2,1-2H3/t15-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO4
Molecular Weight	357.4434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:16:22 GMT 2023` Edited by `admin` on `Sat Dec 16 16:16:22 GMT 2023`
Record UNII	10DO3K28LK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-METHOXYTRAXOPRODIL

Common Name

English

TRAXOPRODIL METABOLITE M13

Common Name

English

(.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

Systematic Name

English

1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXY-3-METHOXYPHENYL)-.BETA.-METHYL-4-PHENYL-, (.ALPHA.S,.BETA.S)-

Systematic Name

English

(1S,2S)-1-(4-HYDROXY-3-METHOXYPHENYL)-2-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL)PROPAN-1-OL

Systematic Name

English

Code System Code Type Description

FDA UNII

10DO3K28LK

Created by admin on Sat Dec 16 16:16:22 GMT 2023 , Edited by admin on Sat Dec 16 16:16:22 GMT 2023

PRIMARY

PUBCHEM

10132979

Created by admin on Sat Dec 16 16:16:22 GMT 2023 , Edited by admin on Sat Dec 16 16:16:22 GMT 2023

PRIMARY

CAS

178457-09-5

Created by admin on Sat Dec 16 16:16:22 GMT 2023 , Edited by admin on Sat Dec 16 16:16:22 GMT 2023

PRIMARY

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