P-SCN-BENZYL-DTPA, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28N4O10S
Molecular Weight	540.544
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CN(CCN(CC(O)=O)CC(O)=O)C[C@H](CC1=CC=C(C=C1)N=C=S)N(CC(O)=O)CC(O)=O

InChI

InChIKey=VAOYPHGXHKUTHC-KRWDZBQOSA-N

InChI=1S/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N4O10S
Molecular Weight	540.544
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:57:50 GMT 2023` Edited by `admin` on `Fri Dec 15 15:57:50 GMT 2023`
Record UNII	5H79013Y15
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

P-SCN-BENZYL-DTPA, (S)-

Common Name

English

BZ-DTPA

Common Name

English

GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-

Systematic Name

English

GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-, (S)-

Common Name

English

CITC-DTPA, (S)-

Common Name

English

N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)GLYCINE

Systematic Name

English

Code System Code Type Description

FDA UNII

5H79013Y15

Created by admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023

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EPA CompTox

DTXSID90145439

Created by admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023

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PUBCHEM

124173

Created by admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023

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CAS

102650-30-6

Created by admin on Fri Dec 15 15:57:50 GMT 2023 , Edited by admin on Fri Dec 15 15:57:50 GMT 2023

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