.BETA.-COLUBRINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O3
Molecular Weight	364.4376
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZTHVHELPCLGXHF-JPPAUQSISA-N

InChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/t14-,17-,18-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H24N2O3
Molecular Weight	364.4376
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 `Sat Dec 16 09:46:13 GMT 2023` Edited by `admin` on `Sat Dec 16 09:46:13 GMT 2023`
Record UNII	PEK2HDB6QQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-COLUBRINE

Common Name

English

STRYCHNIDIN-10-ONE, 2-METHOXY-

Common Name

English

10-METHOXYSTRYCHNINE

Common Name

English

NSC-72862

Code

English

.BETA.-COLUBRINE [MI]

Common Name

English

2-METHOXYSTRYCHNIDIN-10-ONE

Common Name

English

Code System Code Type Description

FDA UNII

PEK2HDB6QQ