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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H21NO3
Molecular Weight 299.3642
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOPINE

SMILES

[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]15CCN(C)[C@H](C4)C5=CC[C@@H]2O

InChI

InChIKey=NNDKZTBFZTWKLA-QISBLDNZSA-N
InChI=1S/C18H21NO3/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/t12-,13+,17+,18+/m1/s1

HIDE SMILES / InChI

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 08:39:05 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:05 GMT 2023
Record UNII
TM43JB0IA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOPINE
MI  
Common Name English
NEOPIN
Common Name English
MORPHINAN-6-OL, 8,14-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, (5.ALPHA.,6.ALPHA.)-
Systematic Name English
.BETA.-CODEINE
Common Name English
NEOPINE [MI]
Common Name English
(5.ALPHA.,6.ALPHA.)-8,14-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6-OL
Systematic Name English
MORPHINAN-6.ALPHA.-OL, 8,14-DIDEHYDRO-4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
TM43JB0IA8
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID80196910
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-387-7
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY
CAS
467-14-1
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY
PUBCHEM
5462437
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY
MERCK INDEX
m7815
Created by admin on Sat Dec 16 08:39:05 GMT 2023 , Edited by admin on Sat Dec 16 08:39:05 GMT 2023
PRIMARY Merck Index