N-BUTYRYL SCOPOLAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO5
Molecular Weight	373.4428
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](COC(=O)CCC)C4=CC=CC=C4

InChI

InChIKey=XYACSNDCQGUNGZ-OXAWTZHMSA-N

InChI=1S/C21H27NO5/c1-3-7-18(23)25-12-15(13-8-5-4-6-9-13)21(24)26-14-10-16-19-20(27-19)17(11-14)22(16)2/h4-6,8-9,14-17,19-20H,3,7,10-12H2,1-2H3/t14-,15-,16-,17+,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO5
Molecular Weight	373.4428
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:27:06 UTC 2023` Edited by `admin` on `Sat Dec 16 01:27:06 UTC 2023`
Record UNII	HO322TV6PV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-BUTYRYL SCOPOLAMINE

Common Name

English

N-BUTYRYLSCOPOLAMINE

Common Name

English

BENZENEACETIC ACID, .ALPHA.-((1-OXOBUTOXY)METHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NON-7-YL ESTER, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-

Common Name

English

Code System Code Type Description

FDA UNII

HO322TV6PV

Created by admin on Sat Dec 16 01:27:06 UTC 2023 , Edited by admin on Sat Dec 16 01:27:06 UTC 2023

PRIMARY

CAS

740757-65-7

Created by admin on Sat Dec 16 01:27:06 UTC 2023 , Edited by admin on Sat Dec 16 01:27:06 UTC 2023

PRIMARY

PUBCHEM

71587791

Created by admin on Sat Dec 16 01:27:06 UTC 2023 , Edited by admin on Sat Dec 16 01:27:06 UTC 2023

PRIMARY

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