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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21NO.BrH
Molecular Weight 312.245
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0
Stereo Comments assumed racemic

SHOW SMILES / InChI
Structure of METAZOCINE HYDROBROMIDE, (-)-

SMILES

Br.C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2C

InChI

InChIKey=PVDXGHHWBNWJAB-HFQRBXEFSA-N
InChI=1S/C15H21NO.BrH/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3;/h4-5,9-10,14,17H,6-8H2,1-3H3;1H/t10-,14+,15+;/m0./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 C15H21NO
Molecular Weight 231.3333
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 13:34:28 GMT 2025
Edited
by admin
on Wed Apr 02 13:34:28 GMT 2025
Record UNII
9CCX7Q8458
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-56944
Preferred Name English
METAZOCINE HYDROBROMIDE, (-)-
Common Name English
2,6-METHANO-3-BENZAZOCIN-8-OL, 1,2,3,4,5,6-HEXAHYDRO-3,6,11-TRIMETHYL-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
3088971
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
CAS
112295-90-6
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
FDA UNII
9CCX7Q8458
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID30920722
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
NSC
56944
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
PRIMARY
CAS
7148-43-8
Created by admin on Wed Apr 02 13:34:28 GMT 2025 , Edited by admin on Wed Apr 02 13:34:28 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
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