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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N3O10.Sn.H
Molecular Weight 506.2177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTETATE STANNIC SN-117M

SMILES

[H+].[117Sn+4].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

InChI

InChIKey=YCRPHLQOWIMIQP-ZQSXMSGHSA-J
InChI=1S/C14H23N3O10.Sn/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+4/p-4/i;1-2

HIDE SMILES / InChI

Molecular Formula H
Molecular Weight 1.0079
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Sn
Molecular Weight 116.903
Charge 4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H18N3O10
Molecular Weight 388.3068
Charge -5
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 15:22:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:30 GMT 2023
Record UNII
WXS12B7NWP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTETATE STANNIC SN-117M
Common Name English
SN-117M DTPA
Common Name English
TIN-117M (STANNIC, 4+) DIETHYLENETRIAMINEPENTAACETIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
146675082
Created by admin on Sat Dec 16 15:22:30 GMT 2023 , Edited by admin on Sat Dec 16 15:22:30 GMT 2023
PRIMARY
NCI_THESAURUS
C2450
Created by admin on Sat Dec 16 15:22:30 GMT 2023 , Edited by admin on Sat Dec 16 15:22:30 GMT 2023
PRIMARY
FDA UNII
WXS12B7NWP
Created by admin on Sat Dec 16 15:22:30 GMT 2023 , Edited by admin on Sat Dec 16 15:22:30 GMT 2023
PRIMARY
CAS
99517-09-6
Created by admin on Sat Dec 16 15:22:30 GMT 2023 , Edited by admin on Sat Dec 16 15:22:30 GMT 2023
PRIMARY
Related Record Type Details
INNOVATOR->PARENT