U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO.C9H10N4O4
Molecular Weight 403.4323
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPHEDRINE ACEFYLLINATE

SMILES

CN[C@@H](C)[C@H](O)C1=CC=CC=C1.CN2C3=C(N(CC(O)=O)C=N3)C(=O)N(C)C2=O

InChI

InChIKey=YSIIKGUQUONBTG-GNAZCLTHSA-N
InChI=1S/C10H15NO.C9H10N4O4/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10-12H,1-2H3;4H,3H2,1-2H3,(H,14,15)/t8-,10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C9H10N4O4
Molecular Weight 238.2001
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H15NO
Molecular Weight 165.2322
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 Sat Dec 16 08:07:03 UTC 2023
Edited
by admin
on Sat Dec 16 08:07:03 UTC 2023
Record UNII
69LH6U1N27
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPHEDRINE ACEFYLLINATE
WHO-DD  
Common Name English
BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (R-(R*,S*))-, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE (SALT)
Common Name English
7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, COMPD. WITH (R-(R*,S*))-.ALPHA.-(1-(METHYLAMINO)ETHYL)BENZENEMETHANOL (1:1)
Systematic Name English
EPHEDRINE, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXOPURINE-7-ACETATE (SALT), (-)-
Common Name English
PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, COMPD. WITH (-)-EPHEDRINE (1:1)
Common Name English
Ephedrine acefyllinate [WHO-DD]
Common Name English
EPHEDRINE THEOPHYLLINE-7-ACETATE
Common Name English
Code System Code Type Description
FDA UNII
69LH6U1N27
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
PUBCHEM
71289
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
SMS_ID
100000078945
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID00952151
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
EVMPD
SUB13684MIG
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
CAS
29701-08-4
Created by admin on Sat Dec 16 08:07:03 UTC 2023 , Edited by admin on Sat Dec 16 08:07:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY