BIBAPCITIDE

Details

Stereochemistry	MIXED
Molecular Formula	C112H162N36O43S10
Molecular Weight	3021.35
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 16
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)NCSC[C@H](NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CSCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)NCC(=O)NCC(=O)N[C@@H](CSC3CC(=O)N(COCN4C(=O)CC(SC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@@H]5CSCC(=O)N[C@H](CC6=CC=C(O)C=C6)C(=O)N[C@@H](CSCCCN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N5)C(N)=O)C4=O)C3=O)C(N)=O

InChI

InChIKey=NQQYGNMPSAJCFD-SLUARSHGSA-N

InChI=1S/C112H162N36O43S10/c1-55(149)129-49-196-41-69(141-89(165)35-125-101(179)71(43-198-51-131-57(3)151)139-85(161)31-119-81(157)27-123-105(183)75-39-194-47-91(167)135-63(19-59-7-11-61(153)12-8-59)107(185)143-73(37-192-17-5-15-113)103(181)127-33-87(163)133-65(21-95(171)172)109(187)145-75)99(177)121-25-79(155)117-29-83(159)137-67(97(115)175)45-200-77-23-93(169)147(111(77)189)53-191-54-148-94(170)24-78(112(148)190)201-46-68(98(116)176)138-84(160)30-118-80(156)26-122-100(178)70(42-197-50-130-56(2)150)142-90(166)36-126-102(180)72(44-199-52-132-58(4)152)140-86(162)32-120-82(158)28-124-106(184)76-40-195-48-92(168)136-64(20-60-9-13-62(154)14-10-60)108(186)144-74(38-193-18-6-16-114)104(182)128-34-88(164)134-66(22-96(173)174)110(188)146-76/h7-14,63-78,153-154H,5-6,15-54,113-114H2,1-4H3,(H2,115,175)(H2,116,176)(H,117,155)(H,118,156)(H,119,157)(H,120,158)(H,121,177)(H,122,178)(H,123,183)(H,124,184)(H,125,179)(H,126,180)(H,127,181)(H,128,182)(H,129,149)(H,130,150)(H,131,151)(H,132,152)(H,133,163)(H,134,164)(H,135,167)(H,136,168)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,165)(H,142,166)(H,143,185)(H,144,186)(H,145,187)(H,146,188)(H,171,172)(H,173,174)/t63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C112H162N36O43S10
Molecular Weight	3021.35
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	14 / 16
E/Z Centers	20
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15106974

Bibapcitide, a 26 amino acid, bis-succinimidomethyl ether-linked dimer of the peptide apcitide is a component of lyophilized kit having the trade name AcuTect. When pertechnetate (99mTcO4-) is added to the AcuTect radiopharmaceutical kit and the resulting kit is heated, [99mTcO] apcitide forms. This kit is used for scintigraphic imaging of veins to identify acute venous thrombosis in the lower legs.

Approval Year

PubMed

Title	Date	PubMed
Preparation and characterization of [99TcO] apcitide: a technetium labeled peptide.	2004 May 3	15106974

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:15:19 GMT 2023` Edited by `admin` on `Fri Dec 15 16:15:19 GMT 2023`
Record UNII	54M83JF5OX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BIBAPCITIDE

Official Name

English

bibapcitide [INN]

Common Name

English

P280

Code

English

TECHNETIUM TC 99M APCITIDE DIMER [MI]

Common Name

English

BIBAPCITIDE [USAN]

Common Name

English

BIBAPCITIDE [II]

Common Name

English

P-280

Code

English

Code System Code Type Description

PUBCHEM

16135469