Y-90 DOTA-LANREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C70H92N15O17S2.Y
Molecular Weight	1569.607
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[90Y+3].CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)CN7CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC7

InChI

InChIKey=HWJGMDVDCJAKEI-YZDGAQAWSA-K

InChI=1S/C70H95N15O17S2.Y/c1-41(2)61-70(102)79-56(69(101)81-62(42(3)86)63(72)95)40-104-103-39-55(68(100)76-53(31-43-16-19-48(87)20-17-43)66(98)77-54(33-47-34-73-50-13-7-6-12-49(47)50)67(99)75-51(64(96)80-61)14-8-9-21-71)78-65(97)52(32-44-15-18-45-10-4-5-11-46(45)30-44)74-57(88)35-82-22-24-83(36-58(89)90)26-28-85(38-60(93)94)29-27-84(25-23-82)37-59(91)92;/h4-7,10-13,15-20,30,34,41-42,51-56,61-62,73,86-87H,8-9,14,21-29,31-33,35-40,71H2,1-3H3,(H2,72,95)(H,74,88)(H,75,99)(H,76,100)(H,77,98)(H,78,97)(H,79,102)(H,80,96)(H,81,101)(H,89,90)(H,91,92)(H,93,94);/q;+3/p-3/t42-,51+,52-,53+,54-,55-,56+,61+,62+;/m1./s1/i;1+1

HIDE SMILES / InChI

Molecular Formula	Y
Molecular Weight	89.9072
Charge	3
Count

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

Molecular Formula	C70H92N15O17S2
Molecular Weight	1479.7
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:45:02 GMT 2023` Edited by `admin` on `Fri Dec 15 15:45:02 GMT 2023`
Record UNII	Z6G1W1L2KQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Y-90 DOTA-LANREOTIDE

Common Name

English

Y90-1,4,7,10-TETRAAZACYCLODODECANE-N,N,N,N-TETRAACETIC ACID-LANREOTIDE (DOTA-LAN)

Common Name

English

Code System Code Type Description

CAS

213187-51-0

Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023

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PUBCHEM

91668166

Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023

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FDA UNII

Z6G1W1L2KQ

Created by admin on Fri Dec 15 15:45:02 GMT 2023 , Edited by admin on Fri Dec 15 15:45:02 GMT 2023

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