PSMA-R2 GALLIUM GA-68

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H60BrN8O15.Ga
Molecular Weight	1052.792
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCN(CC1=CC=C(Br)C=C1)C(=O)CCCCCNC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(O)=O)C(O)=O

InChI

InChIKey=BKXHHHSGMMXXPG-NFBOQKGWSA-K

InChI=1S/C41H63BrN8O15.Ga/c42-30-10-8-29(9-11-30)24-50(15-5-3-6-31(39(61)62)44-41(65)45-32(40(63)64)12-13-35(53)54)34(52)7-2-1-4-14-43-33(51)25-46-16-18-47(26-36(55)56)20-22-49(28-38(59)60)23-21-48(19-17-46)27-37(57)58;/h8-11,31-32H,1-7,12-28H2,(H,43,51)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H2,44,45,65);/q;+3/p-3/t31-,32-;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula	Ga
Molecular Weight	67.928
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C41H60BrN8O15
Molecular Weight	984.864
Charge	-3
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 `Sat Dec 16 14:41:38 UTC 2023` Edited by `admin` on `Sat Dec 16 14:41:38 UTC 2023`
Record UNII	6D0D45UK0J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PSMA-R2 GALLIUM GA-68

Common Name

English

GALLIUM (68GA) PSMA-R2

Common Name

English

68GAPSMA-R2

Code

English

GALLIUM GA 68 PSMA-R2

Common Name

English

Code System Code Type Description

FDA UNII

6D0D45UK0J