Calcium Green BAPTA-2 AM

CAT: 0931-T85995-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T85995-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

163634-11-5

Target

Others

Related Pathways

Others

Bioactivity

Calcium Green BAPTA-2 AM serves as a fluorescent indicator for calcium ions.

Smiles

O=C1OC2(C=3C(OC=4C2=CC(Cl)=C(OC(C)=O)C4)=CC(OC(C)=O)=C(Cl)C3)C=5C1=CC(C(NC6=CC(OCCOC7=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=CC(NC(=O)C=8C=C9C(=CC8)C%10(OC9=O)C=%11C(OC=%12C%10=CC(Cl)=C(OC(C)=O)C%12)=CC(OC(C)=O)=C(Cl)C%11)=C7)=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=C6)=O)=CC5

Molecular Formula

C84H66Cl4N4O34

Molecular Weight

1817.24

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Calcium Green BAPTA-2 AM

CAS Number	163634-11-5
PubChem CID	165412877
IUPAC Name	acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-[(3',6'-diacetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]phenoxy]ethoxy]-4-[(3',6'-diacetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]anilino]acetate
Molecular Formula	C84H66Cl4N4O34
Molecular Weight	1817.2
XLogP	11
Topological Polar Surface Area	470
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	36
Rotatable Bond Count	43
Heavy Atom Count	126
Formal Charge	0
Complexity	3630

SMILES

CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C4(C5=CC(=C(C=C5OC6=CC(=C(C=C64)Cl)OC(=O)C)OC(=O)C)Cl)OC3=O)OCCOC7=C(C=CC(=C7)NC(=O)C8=CC9=C(C=C8)C1(C2=CC(=C(C=C2OC2=CC(=C(C=C21)Cl)OC(=O)C)OC(=O)C)Cl)OC9=O)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C

InChI

InChI=1S/C84H66Cl4N4O34/c1-39(93)111-35-115-75(101)31-91(32-76(102)116-36-112-40(2)94)63-15-11-49(89-79(105)47-9-13-53-51(19-47)81(107)125-83(53)55-23-59(85)69(119-43(5)97)27-65(55)123-66-28-70(120-44(6)98)60(86)24-56(66)83)21-73(63)109-17-18-110-74-22-50(12-16-64(74)92(33-77(103)117-37-113-41(3)95)34-78(104)118-38-114-42(4)96)90-80(106)48-10-14-54-52(20-48)82(108)126-84(54)57-25-61(87)71(121-45(7)99)29-67(57)124-68-30-72(122-46(8)100)62(88)26-58(68)84/h9-16,19-30H,17-18,31-38H2,1-8H3,(H,89,105)(H,90,106)

InChIKey

RGPPEFZGTIEWSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163634-11-5

CID: 165412877

Formula: C84H66Cl4N4O34

MW: 1817.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1817.2
XLogP3	11
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	36
Rotatable Bond Count	43
Exact Mass	1816.228306
Monoisotopic Mass	1814.231256
Topological Polar Surface Area	470 Å²
Heavy Atom Count	126
Formal Charge	0
Complexity	3630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Calcium Green BAPTA-2 AM

Chemical Information

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