BRUCINE TETRAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26N2O4.4H2O
Molecular Weight	466.5247
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=C(OC)C(OC)=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]

InChI

InChIKey=XLXHHXCMBNBDMP-BEYGIVOKSA-N

InChI=1S/C23H26N2O4.4H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;;;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;4*1H2/t13-,18-,19-,21-,22-,23+;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	C23H26N2O4
Molecular Weight	394.4635
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:11:32 UTC 2023` Edited by `admin` on `Sat Dec 16 09:11:32 UTC 2023`
Record UNII	UEJ23QX4RE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRUCINE TETRAHYDRATE

Common Name

English

BRUCINE, TETRAHYDRATE

Common Name

English

STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-, TETRAHYDRATE

Common Name

English

BRUCINE TETRAHYDRATE [MI]

Common Name

English

STRYCHNIDIN-10-ONE, 2,3-DIMETHOXY-, HYDRATE (1:4)

Common Name

English

Code System Code Type Description

CAS

5892-11-5