BELLADONNINE, .ALPHA.-

Details

Stereochemistry	RACEMIC
Molecular Formula	C34H42N2O4
Molecular Weight	542.7083
Optical Activity	( + / - )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H]3CC[C@@](C(=O)O[C@@H]4C[C@@H]5CC[C@H](C4)N5C)(C6=CC=CC=C6)C7=C3C=CC=C7

InChI

InChIKey=GERIGMSHTUAXSI-QQHGMIGWSA-N

InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24+,25-,26+,27+,28+,30-,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H42N2O4
Molecular Weight	542.7083
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:27:56 GMT 2023` Edited by `admin` on `Fri Dec 15 18:27:56 GMT 2023`
Record UNII	NKN20J444R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BELLADONNINE, .ALPHA.-

Common Name

English

.ALPHA.-BELLADONNINE, (±)-

Common Name

English

1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, BIS(8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) ESTER, STEREOISOMER

Common Name

English

1,4-NAPHTHALENEDICARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-PHENYL-, BIS((3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) ESTER, (1R,4S)-REL-

Common Name

English

.ALPHA.-BELLADONNINE

Common Name

English

(±)-.ALPHA.-BELLADONNINE

Common Name

English

.ALPHA.-ISATROPIC ACID DI-.ALPHA.-TROPANYL ESTER

Common Name

English

1.ALPHA.H,5AH-TROPAN-3.ALPHA.-OL, TRANS-1,2,3,4-TETRAHYDRO-1-PHENYL-1,4-NAPHTHALENEDICARBOXYLATE (ESTER) (2:1) .ALPHA.-BELLADONNINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30974306

Created by admin on Fri Dec 15 18:27:56 GMT 2023 , Edited by admin on Fri Dec 15 18:27:56 GMT 2023

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FDA UNII

NKN20J444R

Created by admin on Fri Dec 15 18:27:56 GMT 2023 , Edited by admin on Fri Dec 15 18:27:56 GMT 2023

PRIMARY

CAS

5878-33-1

Created by admin on Fri Dec 15 18:27:56 GMT 2023 , Edited by admin on Fri Dec 15 18:27:56 GMT 2023

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ECHA (EC/EINECS)

227-550-6

Created by admin on Fri Dec 15 18:27:56 GMT 2023 , Edited by admin on Fri Dec 15 18:27:56 GMT 2023

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