BRUCINE SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C23H26N2O4.H2O4S
Molecular Weight	887.006
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC(OC)=C(OC)C=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H].[H][C@]89C[C@@]%10([H])C%11=CCO[C@@]%12([H])CC(=O)N%13C%14=CC(OC)=C(OC)C=C%14[C@@]8(CC[N@]9C%11)[C@]%13([H])[C@@]%10%12[H]

InChI

InChIKey=HCMSIGALSOEZRW-WIMNQIPBSA-N

InChI=1S/2C23H26N2O4.H2O4S/c2*1-27-16-8-14-15(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;1-5(2,3)4/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)/t2*13-,18-,19-,21-,22-,23+;/m00./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 14:59:44 UTC 2023` Edited by `admin` on `Fri Dec 15 14:59:44 UTC 2023`
Record UNII	KY7O12XPOQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BRUCINE SULFATE

Official Name

English

10,11-DIMETHOXYSTRYCHNINE SULPHATE

Common Name

English

BRUCINE SULFATE ANHYDROUS

Common Name

English

BRUCINE SULFATE [VANDF]

Common Name

English

NSC-463

Code

English

2,3-DIMETHOXYSTRYCHNIDIN-10-ONE SULPHATE

Common Name

English

10,11-DIMETHOXYSTRYCHNINE SULFATE

Common Name

English

2,3-DIMETHOXYSTRYCHNIDIN-10-ONE SULFATE

Common Name

English

BRUCINE SULPHATE

Common Name

English

BRUCINE SULFATE [INCI]

Common Name

English

BRUCINE SULPHATE ANHYDROUS

Common Name

English

Code System Code Type Description

CAS

4845-99-2