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Details

Stereochemistry RACEMIC
Molecular Formula C20H21N.H3O4P
Molecular Weight 373.3826
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of OCTRIPTYLINE PHOSPHATE

SMILES

OP(O)(O)=O.[H][C@]12C[C@@]1([H])C3=C(C=CC=C3)\C(=C/CCNC)C4=CC=CC=C24

InChI

InChIKey=VZQRTFPDLVFLMB-ISBILMKSSA-N
InChI=1S/C20H21N.H3O4P/c1-21-12-6-11-16-14-7-2-4-9-17(14)19-13-20(19)18-10-5-3-8-15(16)18;1-5(2,3)4/h2-5,7-11,19-21H,6,12-13H2,1H3;(H3,1,2,3,4)/b16-11-;/t19-,20+;/m1./s1

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H21N
Molecular Weight 275.3874
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:39:00 GMT 2023
Edited
by admin
on Fri Dec 15 18:39:00 GMT 2023
Record UNII
U4CLH8O2MW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTRIPTYLINE PHOSPHATE
USAN  
USAN  
Official Name English
SC-27,123
Code English
OCTRIPTYLINE PHOSPHATE [USAN]
Common Name English
1-PROPANAMINE, 3-(1A,10B-DIHYDRODIBENZO(A,E)CYCLOPROPA(C)CYCLOHEPTEN-6(1H)-YLIDENE)-N-METHYL-, PHOSPHATE (1:1)
Common Name English
1A,10B-DIHYDRO-N-METHYLDIBENZO(A,E)CYCLOPROPA(C)CYCLOHEPTENE-.DELTA.(SUP 6(1H))(SUP ,.GAMMA.)-PROPYLAMINE PHOSPHATE (1:1)
Common Name English
SC-27123
Code English
Code System Code Type Description
CAS
51481-67-5
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
NCI_THESAURUS
C170241
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
MESH
C006289
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
FDA UNII
U4CLH8O2MW
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110951
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID60965808
Created by admin on Fri Dec 15 18:39:00 GMT 2023 , Edited by admin on Fri Dec 15 18:39:00 GMT 2023
PRIMARY
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