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Details

Stereochemistry ACHIRAL
Molecular Formula C9H19NO2.ClH
Molecular Weight 209.714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYL(PENTYL)AMINO)PROPANOIC ACID HYDROCHLORIDE

SMILES

Cl.CCCCCN(C)CCC(O)=O

InChI

InChIKey=YDWXRULMHQZBEX-UHFFFAOYSA-N
InChI=1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H19NO2
Molecular Weight 173.2527
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 10:32:20 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:20 GMT 2023
Record UNII
E7FT72BUU1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYL(PENTYL)AMINO)PROPANOIC ACID HYDROCHLORIDE
Systematic Name English
IBANIC ACID HYDROCHLORIDE
Common Name English
IBANDRONATE RELATED COMPOUND A [USP-RS]
Common Name English
.BETA.-ALANINE, N-METHYL-N-PENTYL-, HYDROCHLORIDE (1:1)
Systematic Name English
IBANDRONIC ACID RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
625120-81-2
Created by admin on Sat Dec 16 10:32:20 GMT 2023 , Edited by admin on Sat Dec 16 10:32:20 GMT 2023
PRIMARY
RS_ITEM_NUM
1335428
Created by admin on Sat Dec 16 10:32:20 GMT 2023 , Edited by admin on Sat Dec 16 10:32:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID20587383
Created by admin on Sat Dec 16 10:32:20 GMT 2023 , Edited by admin on Sat Dec 16 10:32:20 GMT 2023
PRIMARY
PUBCHEM
16726423
Created by admin on Sat Dec 16 10:32:20 GMT 2023 , Edited by admin on Sat Dec 16 10:32:20 GMT 2023
PRIMARY
FDA UNII
E7FT72BUU1
Created by admin on Sat Dec 16 10:32:20 GMT 2023 , Edited by admin on Sat Dec 16 10:32:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY