SCOPOLINE ACETATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H15NO3
Molecular Weight	197.231
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H]3C[C@@H]([C@H](OC(C)=O)[C@@]1([H])O3)N2C

InChI

InChIKey=JKPDCRQKGCESPY-CIQUZCHMSA-N

InChI=1S/C10H15NO3/c1-5(12)13-9-7-3-6-4-8(11(7)2)10(9)14-6/h6-10H,3-4H2,1-2H3/t6-,7-,8+,9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H15NO3
Molecular Weight	197.231
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 `Sat Dec 16 10:00:19 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:19 GMT 2023`
Record UNII	BT6TG7M91M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPOLINE ACETATE

Common Name

English

SCOPOLINE ACETATE [MI]

Common Name

English

2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, HEXAHYDRO-4-METHYL-, (2R,3AS,5R,6R,6AR)-REL-, ACETATE

Systematic Name

English

REL-(2R,3AS,5R,6R,6AR)-HEXAHYDRO-4-METHYL-2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, ACETATE

Systematic Name

English

2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, HEXAHYDRO-4-METHYL-, ACETATE (ESTER), (2.ALPHA.,3A.BETA.,5.ALPHA.,6.BETA.,6A.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

109451-65-2

Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023

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FDA UNII

BT6TG7M91M

Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023

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PUBCHEM

45091605

Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023

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MERCK INDEX

m9817

Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023

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Merck Index