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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18N2.C2H4O2
Molecular Weight 214.3046
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-AZABICYCLO(3.3.1)NONAN-3-AMINE, 9-METHYL-, (3-ENDO)-, ACETATE (1:2)

SMILES

CC(O)=O.CN1[C@@H]2CCC[C@@H]1C[C@@H](N)C2

InChI

InChIKey=HYQYXDHNQSCRHN-VTLYIQCISA-N
InChI=1S/C9H18N2.C2H4O2/c1-11-8-3-2-4-9(11)6-7(10)5-8;1-2(3)4/h7-9H,2-6,10H2,1H3;1H3,(H,3,4)/t8-,9-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C9H18N2
Molecular Weight 154.2526
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H4O2
Molecular Weight 60.052
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 Sat Dec 16 11:19:08 UTC 2023
Edited
by admin
on Sat Dec 16 11:19:08 UTC 2023
Record UNII
BZG1B5LA46
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-AZABICYCLO(3.3.1)NONAN-3-AMINE, 9-METHYL-, (3-ENDO)-, ACETATE (1:2)
Systematic Name English
GRANISETRON RELATED COMPOUND E [USP-RS]
Common Name English
Code System Code Type Description
CAS
1174751-61-1
Created by admin on Sat Dec 16 11:19:08 UTC 2023 , Edited by admin on Sat Dec 16 11:19:08 UTC 2023
PRIMARY
FDA UNII
BZG1B5LA46
Created by admin on Sat Dec 16 11:19:08 UTC 2023 , Edited by admin on Sat Dec 16 11:19:08 UTC 2023
PRIMARY
RS_ITEM_NUM
1298150
Created by admin on Sat Dec 16 11:19:08 UTC 2023 , Edited by admin on Sat Dec 16 11:19:08 UTC 2023
PRIMARY
PUBCHEM
146019494
Created by admin on Sat Dec 16 11:19:08 UTC 2023 , Edited by admin on Sat Dec 16 11:19:08 UTC 2023
PRIMARY
Related Record Type Details
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