GARRYINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H33NO2
Molecular Weight	343.5029
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CCC[C@@]4(C[N@@]3CCO[C@H]13)[C@@H]5CC[C@H]6C[C@@]5(CC[C@H]24)[C@@H](O)C6=C

InChI

InChIKey=IVNWJNHFVISYHC-MZFAOTOMSA-N

InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15?,16-,17-,18+,19-,20-,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H33NO2
Molecular Weight	343.5029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:35:59 GMT 2025` Edited by `admin` on `Mon Mar 31 22:35:59 GMT 2025`
Record UNII	V7528B7TLD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GARRYINE [MI]

Preferred Name

English

GARRYINE

Common Name

English

(3R,5S,5AR,7AR,8R,8AR,13AS,13BS)-8-METHYL-4-METHYLENEDODECAHYDRO-6H,13H-3,5A-METHANO-8,13A-PROPANOCYCLOHEPTA(H)OXAZOLO(3,2-B)ISOQUINOLIN-5-OL

Systematic Name

English

6H,13H-3,5A-METHANO-8,13A-PROPANOCYCLOHEPT(H)OXAZOLO(3,2-B)ISOQUINOLIN-5-OL, DODECAHYDRO-8-METHYL-4-METHYLENE-, (3R,5S,5AR,7AR,8R,8AR,13AS,13BS)-

Systematic Name

English

6H,13H-3,5A-METHANO-8,13A-PROPANOCYCLOHEPT(H)OXAZOLO(3,2-B)ISOQUINOLIN-5-OL, DODECAHYDRO-8-METHYL-4-METHYLENE-, (3R-(3.ALPHA.,5.ALPHA.,5A.ALPHA.,7A.BETA.,8.BETA.,8A.ALPHA.,13A.BETA.,13B.BETA.))-

Systematic Name

English

Code System Code Type Description

CAS

561-51-3

Created by admin on Mon Mar 31 22:35:59 GMT 2025 , Edited by admin on Mon Mar 31 22:35:59 GMT 2025

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MERCK INDEX

m742

Created by admin on Mon Mar 31 22:35:59 GMT 2025 , Edited by admin on Mon Mar 31 22:35:59 GMT 2025

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Merck Index

FDA UNII

V7528B7TLD

Created by admin on Mon Mar 31 22:35:59 GMT 2025 , Edited by admin on Mon Mar 31 22:35:59 GMT 2025

PRIMARY

EPA CompTox

DTXSID30331617

Created by admin on Mon Mar 31 22:35:59 GMT 2025 , Edited by admin on Mon Mar 31 22:35:59 GMT 2025

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Related Record Type Details


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GARRYINE MONOHYDRATE

SOLVATE->ANHYDROUS