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

Details

Stereochemistry EPIMERIC
Molecular Formula C9H19N.C4H6O6
Molecular Weight 291.3407
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHEPTENE BITARTRATE

SMILES

CNC(C)CCC=C(C)C.O[C@H]([C@@H](O)C(O)=O)C(O)=O

InChI

InChIKey=HLRDXBKIKFQOFS-LREBCSMRSA-N
InChI=1S/C9H19N.C4H6O6/c1-8(2)6-5-7-9(3)10-4;5-1(3(7)8)2(6)4(9)10/h6,9-10H,5,7H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

HIDE SMILES / InChI

Molecular Formula C9H19N
Molecular Weight 141.2539
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C4H6O6
Molecular Weight 150.0868
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 16:01:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:01:15 UTC 2023
Record UNII
C4625WF7BM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOMETHEPTENE BITARTRATE
Common Name English
ISOMETHEPTENE ACID TARTRATE
Common Name English
4-HEXENYLAMINE, N,1,5-TRIMETHYL-, TARTRATE (1:1)
Systematic Name English
ISOMETHEPTENE BITARTRATE (ACID TARTRATE)
MI  
Common Name English
2-METHYLAMINO-ISO-OCTENE BITARTRATE
Common Name English
5-HEPTEN-2-AMINE, N,6-DIMETHYL-, (R-(R*,R*))-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Common Name English
ISOMETHEPTENE TARTRATE
Common Name English
OCTIN BITARTRATE
Common Name English
(R-(R*,R*))-METHYL(1,5-DIMETHYLHEX-4-ENYL)AMMONIUM HYDROGEN TARTRATE
Common Name English
ISOMETHEPTENE BITARTRATE (ACID TARTRATE) [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29709
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
227-795-9
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
CAS
5984-50-9
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
PUBCHEM
22296
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID50975239
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
FDA UNII
C4625WF7BM
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
NCI_THESAURUS
C87580
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY
MERCK INDEX
m6501
Created by admin on Fri Dec 15 16:01:15 UTC 2023 , Edited by admin on Fri Dec 15 16:01:15 UTC 2023
PRIMARY Merck Index
Related Record Type Details
ACTIVE MOIETY