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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N2O5
Molecular Weight 294.3031
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KELATORPHAN

SMILES

C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=OJCFZTVYDSKXNM-GXSJLCMTSA-N
InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18N2O5
Molecular Weight 294.3031
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:22:03 GMT 2023
Edited
by admin
on Fri Dec 15 19:22:03 GMT 2023
Record UNII
46BBW2U5D6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KELATORPHAN
Common Name English
L-ALANINE, N-((2R)-4-(HYDROXYAMINO)-1,4-DIOXO-2-(PHENYLMETHYL)BUTYL)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Kelatorphan
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
DRUG BANK
DB08040
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
CAS
92175-57-0
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID90238911
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
PUBCHEM
123982
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
FDA UNII
46BBW2U5D6
Created by admin on Fri Dec 15 19:22:04 GMT 2023 , Edited by admin on Fri Dec 15 19:22:04 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY