NEOPINE HYDROBROMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21NO3.BrH
Molecular Weight	380.276
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14C5=CC[C@@H]2O)=CC=C3OC

InChI

InChIKey=ALTORFKYYONRLC-VVHLMOBZSA-N

InChI=1S/C18H21NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3;1H/t12-,13+,17+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C18H21NO3
Molecular Weight	299.3642
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:55 GMT 2023` Edited by `admin` on `Sat Dec 16 08:06:55 GMT 2023`
Record UNII	PC9YS1PAII
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NEOPINE HYDROBROMIDE

Common Name

English

MORPHINAN-6-OL, 8,14-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, HYDROBROMIDE, (5.ALPHA.,6.ALPHA.)-

Systematic Name

English

NEOPINE HYDROBROMIDE [MI]

Common Name

English

.BETA.-CODEINE HYDROBROMIDE

Common Name

English

NSC-34905

Code

English

Code System Code Type Description

EPA CompTox

DTXSID90327354