Isovoacangine, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N2O3
Molecular Weight	368.4693
Optical Activity	( + )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1C[C@@H]2C[N@]3CCC4=C(NC5=CC(OC)=CC=C45)[C@@](C2)([C@@H]13)C(=O)OC

InChI

InChIKey=FPUHKQMDWMVBRI-VQXITPLLSA-N

InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-17(7-8-24(12-13)20(14)22)16-6-5-15(26-2)10-18(16)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O3
Molecular Weight	368.4693
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:13:47 GMT 2025` Edited by `admin` on `Wed Apr 02 19:13:47 GMT 2025`
Record UNII	XH9WD36QHC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-Isovoacangine

Preferred Name

English

Isovoacangine, (+)-

Common Name

English

Methyl (6R,6aR,7R,9S,11R)-7-ethyl-7,8,9,10,12,13-hexahydro-3-methoxy-6,9-methano-5H-pyrido[1?,2?:1,2]azepino[4,5-b]indole-6(6aH)-carboxylate

Systematic Name

English

6,9-Methano-5H-pyrido[1?,2?:1,2]azepino[4,5-b]indole-6(6aH)-carboxylic acid, 7-ethyl-7,8,9,10,12,13-hexahydro-3-methoxy-, methyl ester, (6R,6aR,7R,9S,11R)-

Systematic Name

English

Code System Code Type Description

CAS

2752423-51-9

Created by admin on Wed Apr 02 19:13:47 GMT 2025 , Edited by admin on Wed Apr 02 19:13:47 GMT 2025

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FDA UNII

XH9WD36QHC

Created by admin on Wed Apr 02 19:13:47 GMT 2025 , Edited by admin on Wed Apr 02 19:13:47 GMT 2025

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