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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO2.C10H8O3S
Molecular Weight 547.705
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPOXYPHENE NAPSYLATE ANHYDROUS

SMILES

OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1.CCC(=O)O[C@@](CC3=CC=CC=C3)([C@H](C)CN(C)C)C4=CC=CC=C4

InChI

InChIKey=VZPXFHVJUUSVLH-MYXGOWFTSA-N
InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C22H29NO2
Molecular Weight 339.4712
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C10H8O3S
Molecular Weight 208.234
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:13:06 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:06 UTC 2023
Record UNII
5O7IW35N3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPOXYPHENE NAPSYLATE ANHYDROUS
Common Name English
PROPOXYPHENE NAPSYLATE, ANHYDROUS
Common Name English
Code System Code Type Description
PUBCHEM
28332
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
241-205-7
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
CAS
23239-43-2
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
SUPERSEDED
CAS
17140-78-2
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
FDA UNII
5O7IW35N3C
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID80937986
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
SMS_ID
100000153447
Created by admin on Fri Dec 15 15:13:06 UTC 2023 , Edited by admin on Fri Dec 15 15:13:06 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS