2-[2-[2-[(3-AZIDOPROPYL)AMINO]-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT

CAS No.
1188332-22-0
CCD No.
CCD04206006
Formula
C40 H52 N6 O6 S2
MolWeight
777.019

Basic Information

Product Name: 2-[2-[2-[(3-AZIDOPROPYL)AMINO]-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT
CAS: 1188332-22-0
English Synonyms: AZIDE CYANINE DYE 728 ; 2-[2-[2-[(3-AZIDOPROPYL)AMINO]-3-[2-[1,3-DIHYDRO-3,3-DIMETHYL-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFOBUTYL)-3H-INDOLIUM INNER SALT
MDL Number.: MFCD18452836
H bond acceptor: 12
H bond donor: 2
Smile: CC1(c2ccccc2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(c5ccccc5N4CCCCS(=O)(=O)O)(C)C)/CC3)NCCCN=[N+]=[N-])CCCCS(=O)(=O)[O-])C
InChi: InChI=1S/C40H52N6O6S2/c1-39(2)32-14-5-7-16-34(32)45(26-9-11-28-53(47,48)49)36(39)22-20-30-18-19-31(38(30)42-24-13-25-43-44-41)21-23-37-40(3,4)33-15-6-8-17-35(33)46(37)27-10-12-29-54(50,51)52/h5-8,14-17,20-23H,9-13,18-19,24-29H2,1-4H3,(H2,47,48,49,50,51,52)/b30-20+,36-22+
InChiKey: InChIKey=XEWMTEFQJKJRAZ-TXRIKVQFSA-N

Property

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26
WGK Germany: 3

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