J-105859

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36N2O6
Molecular Weight	532.6273
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@H](C)CC1=CC(OC)=CC=C1[C@H]2[C@@H]([C@H](C3=CC=C(NC(C)C)N=C23)C4=CC=C5OCOC5=C4)C(O)=O

InChI

InChIKey=HWNXCQQEFQWPHX-XCQIGJQCSA-N

InChI=1S/C31H36N2O6/c1-17(2)32-26-11-9-23-27(19-6-10-24-25(14-19)39-16-38-24)29(31(34)35)28(30(23)33-26)22-8-7-21(37-5)13-20(22)12-18(3)15-36-4/h6-11,13-14,17-18,27-29H,12,15-16H2,1-5H3,(H,32,33)(H,34,35)/t18-,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H36N2O6
Molecular Weight	532.6273
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 10:09:22 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:22 GMT 2023`
Record UNII	4594HH3GPS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

J-105859

Code

English

(5S,6R,7R)-5-(1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO-7-(4-METHOXY-2-((2R)-3-METHOXY-2-METHYLPROPYL)PHENYL)-2-((1-METHYLETHYL)AMINO)-5H-CYCLOPENTA(B)PYRIDINE-6-CARBOXYLIC ACID

Systematic Name

English

J105859

Code

English

(+)-J-105859

Common Name

English

5H-CYCLOPENTA(B)PYRIDINE-6-CARBOXYLIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO-7-(4-METHOXY-2-((2R)-3-METHOXY-2-METHYLPROPYL)PHENYL)-2-((1-METHYLETHYL)AMINO)-, (5S,6R,7R)-

Systematic Name

English

Code System Code Type Description

CAS

325476-78-6

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

PUBCHEM

9849984

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

FDA UNII

4594HH3GPS

Created by admin on Sat Dec 16 10:09:22 GMT 2023 , Edited by admin on Sat Dec 16 10:09:22 GMT 2023

PRIMARY

Related Record Type Details


					4594HH3GPS

J-105859

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