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.COC1=CC2=C(C=C1OC)[C@@]34CC[N@]5CC6=CCO[C@H]7CC(=O)N2[C@H]3[C@H]7[C@H]6C[C@@H]45.COC8=CC9=C(C=C8OC)[C@@]%10%11CC[N@]%12CC%13=CCO[C@H]%14CC(=O)N9[C@H]%10[C@H]%14[C@H]%13C[C@@H]%11%12

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	C23H26N2O4
Molecular Weight	394.4635
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:34:26 GMT 2025` Edited by `admin` on `Mon Mar 31 17:34:26 GMT 2025`
Record UNII	KY7O12XPOQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRUCINE SULFATE

Official Name

English

NSC-463

Preferred Name

English

10,11-DIMETHOXYSTRYCHNINE SULPHATE

Common Name

English

BRUCINE SULFATE ANHYDROUS

Common Name

English

BRUCINE SULFATE [VANDF]

Common Name

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 SULPHATE ANHYDROUS

Common Name

English

Code System Code Type Description

CAS

4845-99-2